 Entering Gaussian System, Link 0=g16
 Input=02_dimethylenespyropentane_STD_B3LYPDBJ-def2SVPDr.in
 Output=02_dimethylenespyropentane_STD_B3LYPDBJ-def2SVPDr.log
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
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                  0.28148150384D-01      1.0000000
            D    4   1.00
                 19.240334928            0.27039082144D-01
                  5.1178995899           0.13803684743
                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
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            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
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            S    2   1.00
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            S    1   1.00
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                 10.052739237           -0.41511149340
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            P    1   1.00
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            P    1   1.00
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                 18.504059617           -0.54952972010D-02
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                  1.7142196009           0.51273377761
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            D    1   1.00
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            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
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            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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                 10.433943171           -0.41205302672
                  1.3623024763           0.78760578076
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 18.884095378           -0.35221408938D-02
                  4.2527304630           0.28254216065
                  1.8757557092           0.52039372916
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            D    1   1.00
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            D    1   1.00
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            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
                  2.1996161861           0.82816359356
                  1.0668970454           0.42161048110
            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 20.499027254            0.77159335656D-01
                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 51.235354920            0.40345130346D-02
                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
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            D    1   1.00
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            D    1   1.00
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
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            S    2   1.00
                 11.752550163            0.66038420156
                  6.2390917199           0.38470524721
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 13.960683826           -0.50950157807D-01
                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
                  9.8891605641          -0.27974266640
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    6   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
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            D    1   1.00
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  1.9656663360          -0.25019961976
                  0.47689195212          0.55660850066
                  0.21529749588          0.58218553406
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.5207180000          -1.0707548832
                  0.67578180854          0.34940781448
                  0.31985844531          0.65041110673
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.1038910              0.4732600
            D    1   1.00
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            F    4   1.00
                 10.00                   0.073
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                  1.00                   0.350
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
                  2.1823803999           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
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            D    1   1.00
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            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  5.9599790000          -0.83713508620273
                  1.0921117054           0.50570506286223
                  0.49702823217          0.51965388690539
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
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            F    1   1.00
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            ****
            -Ta     0
            S    2   1.00
                 14.400000000            0.99343296745
                 12.000000000           -1.6510077975
            S    1   1.00
                  5.0701477302           1.0000000
            S    1   1.00
                  0.86033356487          1.0000000
            S    1   1.00
                  0.37158938894          1.0000000
            S    1   1.00
                  0.10745336254          1.0000000
            S    1   1.00
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                  5.6984100000          -0.46968874449
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                  0.54478533555          0.52298161137
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
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            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
                 12.000000000            1.0014141748
            S    1   1.00
                  5.2610967725           1.0000000
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                  0.11585976646          1.0000000
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                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
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            D    4   1.00
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                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
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            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
                  0.98874104687          1.0000000
            S    1   1.00
                  0.42833312030          1.0000000
            S    1   1.00
                  0.12296804533          1.0000000
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            P    4   1.00
                  7.4040050000           0.54510937865
                  6.3502060000          -0.76096056536
                  1.3311713455           0.53252276765
                  0.62659600547          0.51483045040
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
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                  0.4898900              1.0000000
            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
            S    1   1.00
                  1.0689228744           1.0000000
            S    1   1.00
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            S    1   1.00
                  0.13253456992          1.0000000
            S    1   1.00
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            P    4   1.00
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                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
                  0.28347394974          1.0000000
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
                  3.5808150000          -0.42773932262
                  3.1961650000           0.44501403992
                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
                  0.14653507868          1.0000000
            F    1   1.00
                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
            S    1   1.00
                  1.1520364268           1.0000000
            S    1   1.00
                  0.51104895338          1.0000000
            S    1   1.00
                  0.14084043578          1.0000000
            S    1   1.00
                  0.49828673085D-01      1.0000000
            P    4   1.00
                  8.6697960000           0.21469187346391
                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
                  0.15641305125          1.0000000
            F    1   1.00
                  0.6100800              1.0000000
            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
            S    1   1.00
                  0.55606439459          1.0000000
            S    1   1.00
                  0.13793093812          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.2000000000          -0.95441807252
                  1.5588402917           0.57140490320
                  0.73230402180          0.49508234268
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
                  0.13155928617          1.0000000
            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
                  0.58596768244          1.0000000
            S    1   1.00
                  0.13875427354          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.3353260000          -0.72681584494
                  1.6575296365           0.57315511417
                  0.78159310216          0.49579068859
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
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            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
                 10.320909000            0.81771278143
            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
                  0.63706742699          1.0000000
            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
                  0.56410423453D-01      1.0000000
            P    4   1.00
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                  7.1690950000          -0.44026342153
                  1.7559567931           0.58406314464
                  0.83145670425          0.49359746203
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.4800000000           0.37748470203231
                  1.2535869926           0.48342275878173
                  0.50841366863          0.43493523158359
            D    1   1.00
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            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/B3LYPDBJ_def2SVPD/02_dimethylenespyropentane_STD/Gau-19620.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/B3LYPDBJ_def2SVPD/02_dimethylenespyropentane_STD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     19630.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                16-Jul-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=42GB
 %chk=02_dimethylenespyropentane_STD_B3LYPDBJ-def2SVPDr
 ----------------------------------------------------------------------
 #P B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoS
 ymm,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-5,75=-5,116=-2,124=41/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Fri Jul 16 13:10:02 2021, MaxMem=  5637144576 cpu:               1.1 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "02_dimethylenespyropentane_STD_B3LYPDBJ-def2SVPDr.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 0.990052000000      0.908560000000      1.004401000000
  C                                                -0.000001000000      0.353124000000      0.000001000000
  C                                                 1.353354000000     -0.135911000000      0.027075000000
  C                                                 2.271045000000     -0.944010000000     -0.460952000000
  C                                                -0.990057000000      0.908584000000     -1.004381000000
  C                                                -1.353358000000     -0.135911000000     -0.027085000000
  C                                                -2.271038000000     -0.944025000000      0.460937000000
  H                                                -1.356942000000      1.917200000000     -0.842556000000
  H                                                -0.864204000000      0.629254000000     -2.045363000000
  H                                                 1.356934000000      1.917181000000      0.842602000000
  H                                                 0.864199000000      0.629198000000      2.045374000000
  H                                                 2.047716000000     -1.619089000000     -1.278071000000
  H                                                 3.277396000000     -0.958534000000     -0.060790000000
  H                                                -3.277391000000     -0.958559000000      0.060781000000
  H                                                -2.047691000000     -1.619115000000      1.278043000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     15 NQM=       15 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12           1           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           0           0           1           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000

  Atom        11          12          13          14          15
 IAtWgt=           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Fri Jul 16 13:10:02 2021, MaxMem=  5637144576 cpu:               1.3 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.990052    0.908560    1.004401
      2          6           0       -0.000001    0.353124    0.000001
      3          6           0        1.353354   -0.135911    0.027075
      4          6           0        2.271045   -0.944010   -0.460952
      5          6           0       -0.990057    0.908584   -1.004381
      6          6           0       -1.353358   -0.135911   -0.027085
      7          6           0       -2.271038   -0.944025    0.460937
      8          1           0       -1.356942    1.917200   -0.842556
      9          1           0       -0.864204    0.629254   -2.045363
     10          1           0        1.356934    1.917181    0.842602
     11          1           0        0.864199    0.629198    2.045374
     12          1           0        2.047716   -1.619089   -1.278071
     13          1           0        3.277396   -0.958534   -0.060790
     14          1           0       -3.277391   -0.958559    0.060781
     15          1           0       -2.047691   -1.619115    1.278043
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.515762   0.000000
     3  C    1.475830   1.439256   0.000000
     4  C    2.687046   2.655689   1.316568   0.000000
     5  C    2.820645   1.515761   2.765221   3.789750   0.000000
     6  C    2.765222   1.439258   2.707254   3.738658   1.475827
     7  C    3.789740   2.655686   3.738650   4.634695   2.687048
     8  H    3.152298   2.235514   3.509591   4.636209   1.085402
     9  H    3.580131   2.237545   3.130182   3.849065   1.085130
    10  H    1.085402   2.235514   2.209136   3.274334   3.152298
    11  H    1.085130   2.237545   2.213187   3.276564   3.580130
    12  H    3.566138   3.117088   2.094126   1.083186   3.961326
    13  H    3.138887   3.530648   2.094365   1.083090   4.752646
    14  H    4.752644   3.530650   4.703370   5.572931   3.138899
    15  H    3.961301   3.117074   3.915600   4.704397   3.566134
                    6          7          8          9         10
     6  C    0.000000
     7  C    1.316568   0.000000
     8  H    2.209133   3.274336   0.000000
     9  H    2.213187   3.276573   1.829847   0.000000
    10  H    3.509590   4.636200   3.194508   3.864266   0.000000
    11  H    3.130182   3.849050   3.864267   4.440890   1.829849
    12  H    3.915621   4.704412   4.928155   3.758066   4.180866
    13  H    4.703374   5.572928   5.509818   4.859264   3.574077
    14  H    2.094367   1.083089   3.574092   3.574978   5.509818
    15  H    2.094123   1.083186   4.180861   4.183400   4.928130
                   11         12         13         14         15
    11  H    0.000000
    12  H    4.183395   0.000000
    13  H    3.574960   1.852085   0.000000
    14  H    4.859254   5.530424   6.555914   0.000000
    15  H    3.758033   4.827637   5.530406   1.852086   0.000000
 Stoichiometry    C7H8
 Framework group  C1[X(C7H8)]
 Deg. of freedom    39
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 2.95D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.990052    0.908560    1.004401
      2          6           0       -0.000001    0.353124    0.000001
      3          6           0        1.353354   -0.135911    0.027075
      4          6           0        2.271045   -0.944010   -0.460952
      5          6           0       -0.990057    0.908584   -1.004381
      6          6           0       -1.353358   -0.135911   -0.027085
      7          6           0       -2.271038   -0.944025    0.460937
      8          1           0       -1.356942    1.917200   -0.842556
      9          1           0       -0.864204    0.629254   -2.045363
     10          1           0        1.356934    1.917181    0.842602
     11          1           0        0.864199    0.629198    2.045374
     12          1           0        2.047716   -1.619089   -1.278071
     13          1           0        3.277396   -0.958534   -0.060790
     14          1           0       -3.277391   -0.958559    0.060781
     15          1           0       -2.047691   -1.619115    1.278043
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           5.0050458           1.8781974           1.7728373
 Leave Link  202 at Fri Jul 16 13:10:03 2021, MaxMem=  5637144576 cpu:               0.5 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       8      9     10     11     12     13     14     15
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   218 symmetry adapted cartesian basis functions of A   symmetry.
 There are   204 symmetry adapted basis functions of A   symmetry.
   204 basis functions,   304 primitive gaussians,   218 cartesian basis functions
    25 alpha electrons       25 beta electrons
       nuclear repulsion energy       262.3876293527 Hartrees.
 IExCor=  402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX=  0.200000
 ScaDFX=  0.800000  0.720000  1.000000  0.810000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=141
 NAtoms=   15 NActive=   15 NUniq=   15 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D3(BJ) Dispersion energy=       -0.0207069312 Hartrees.
 Nuclear repulsion after empirical dispersion term =      262.3669224215 Hartrees.
 Leave Link  301 at Fri Jul 16 13:10:04 2021, MaxMem=  5637144576 cpu:               6.3 elap:               0.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   204 RedAO= T EigKep=  4.39D-05  NBF=   204
 NBsUse=   204 1.00D-06 EigRej= -1.00D+00 NBFU=   204
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   218   218   218   218   218 MxSgAt=    15 MxSgA2=    15.
 Leave Link  302 at Fri Jul 16 13:10:05 2021, MaxMem=  5637144576 cpu:               2.7 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Fri Jul 16 13:10:05 2021, MaxMem=  5637144576 cpu:               1.4 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "02_dimethylenespyropentane_STD_B3LYPDBJ-def2SVPDr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000   -0.000000    0.000000
         Rot=    1.000000   -0.000000    0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Fri Jul 16 13:10:06 2021, MaxMem=  5637144576 cpu:               2.4 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5637144576 LenX=  5637045547 LenY=  5636997582
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf= 990000000 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=         0 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -271.248115188950    
 DIIS: error= 3.92D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -271.248115188950     IErMin= 1 ErrMin= 3.92D-03
 ErrMax= 3.92D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.93D-03 BMatP= 3.93D-03
 IDIUse=3 WtCom= 9.61D-01 WtEn= 3.92D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.244 Goal=   None    Shift=    0.000
 GapD=    0.244 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=9.83D-03 MaxDP=3.10D-01              OVMax= 1.10D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  8.90D-03    CP:  1.18D+00
 E= -271.251839831422     Delta-E=       -0.003724642471 Rises=F Damp=F
 DIIS: error= 3.68D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -271.251839831422     IErMin= 2 ErrMin= 3.68D-04
 ErrMax= 3.68D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.48D-05 BMatP= 3.93D-03
 IDIUse=3 WtCom= 9.96D-01 WtEn= 3.68D-03
 Coeff-Com: -0.472D-02 0.100D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.470D-02 0.100D+01
 Gap=     0.244 Goal=   None    Shift=    0.000
 RMSDP=4.88D-04 MaxDP=1.65D-02 DE=-3.72D-03 OVMax= 2.82D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  2.16D-04    CP:  1.19D+00  1.04D+00
 E= -271.251842338949     Delta-E=       -0.000002507527 Rises=F Damp=F
 DIIS: error= 4.05D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -271.251842338949     IErMin= 2 ErrMin= 3.68D-04
 ErrMax= 4.05D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.94D-05 BMatP= 3.48D-05
 IDIUse=3 WtCom= 3.32D-01 WtEn= 6.68D-01
 Coeff-Com: -0.114D-01 0.525D+00 0.487D+00
 Coeff-En:   0.000D+00 0.485D+00 0.515D+00
 Coeff:     -0.378D-02 0.498D+00 0.506D+00
 Gap=     0.244 Goal=   None    Shift=    0.000
 RMSDP=7.41D-05 MaxDP=1.82D-03 DE=-2.51D-06 OVMax= 2.41D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  6.08D-05    CP:  1.19D+00  1.04D+00  8.07D-01
 E= -271.251882681974     Delta-E=       -0.000040343025 Rises=F Damp=F
 DIIS: error= 1.38D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -271.251882681974     IErMin= 4 ErrMin= 1.38D-04
 ErrMax= 1.38D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.43D-06 BMatP= 3.48D-05
 IDIUse=3 WtCom= 9.99D-01 WtEn= 1.38D-03
 Coeff-Com: -0.663D-02 0.227D+00 0.303D+00 0.477D+00
 Coeff-En:   0.000D+00 0.000D+00 0.476D-01 0.952D+00
 Coeff:     -0.662D-02 0.226D+00 0.303D+00 0.477D+00
 Gap=     0.244 Goal=   None    Shift=    0.000
 RMSDP=2.28D-05 MaxDP=3.84D-04 DE=-4.03D-05 OVMax= 1.15D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  1.62D-05    CP:  1.19D+00  1.04D+00  8.44D-01  7.86D-01
 E= -271.251887809568     Delta-E=       -0.000005127594 Rises=F Damp=F
 DIIS: error= 5.15D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -271.251887809568     IErMin= 5 ErrMin= 5.15D-05
 ErrMax= 5.15D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.03D-07 BMatP= 5.43D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.145D-02 0.164D-01 0.668D-01 0.284D+00 0.634D+00
 Coeff:     -0.145D-02 0.164D-01 0.668D-01 0.284D+00 0.634D+00
 Gap=     0.244 Goal=   None    Shift=    0.000
 RMSDP=8.49D-06 MaxDP=2.17D-04 DE=-5.13D-06 OVMax= 3.02D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  5.03D-06    CP:  1.19D+00  1.04D+00  8.44D-01  8.13D-01  7.46D-01
 E= -271.251888442643     Delta-E=       -0.000000633075 Rises=F Damp=F
 DIIS: error= 5.26D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -271.251888442643     IErMin= 6 ErrMin= 5.26D-06
 ErrMax= 5.26D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.93D-09 BMatP= 6.03D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.481D-03 0.297D-02 0.214D-01 0.104D+00 0.262D+00 0.610D+00
 Coeff:     -0.481D-03 0.297D-02 0.214D-01 0.104D+00 0.262D+00 0.610D+00
 Gap=     0.244 Goal=   None    Shift=    0.000
 RMSDP=1.24D-06 MaxDP=2.58D-05 DE=-6.33D-07 OVMax= 2.75D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  1.09D-06    CP:  1.19D+00  1.04D+00  8.45D-01  8.15D-01  7.49D-01
                    CP:  9.15D-01
 E= -271.251888448874     Delta-E=       -0.000000006231 Rises=F Damp=F
 DIIS: error= 1.73D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -271.251888448874     IErMin= 7 ErrMin= 1.73D-06
 ErrMax= 1.73D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.11D-09 BMatP= 6.93D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.839D-05-0.100D-02-0.366D-03 0.518D-02 0.293D-01 0.307D+00
 Coeff-Com:  0.659D+00
 Coeff:     -0.839D-05-0.100D-02-0.366D-03 0.518D-02 0.293D-01 0.307D+00
 Coeff:      0.659D+00
 Gap=     0.244 Goal=   None    Shift=    0.000
 RMSDP=4.71D-07 MaxDP=1.20D-05 DE=-6.23D-09 OVMax= 8.72D-06

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  2.13D-07    CP:  1.19D+00  1.04D+00  8.46D-01  8.15D-01  7.52D-01
                    CP:  9.19D-01  7.01D-01
 E= -271.251888450001     Delta-E=       -0.000000001127 Rises=F Damp=F
 DIIS: error= 1.03D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -271.251888450001     IErMin= 8 ErrMin= 1.03D-07
 ErrMax= 1.03D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.23D-12 BMatP= 1.11D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.592D-05-0.295D-03-0.468D-03-0.438D-03 0.214D-02 0.584D-01
 Coeff-Com:  0.151D+00 0.790D+00
 Coeff:      0.592D-05-0.295D-03-0.468D-03-0.438D-03 0.214D-02 0.584D-01
 Coeff:      0.151D+00 0.790D+00
 Gap=     0.244 Goal=   None    Shift=    0.000
 RMSDP=5.49D-08 MaxDP=1.65D-06 DE=-1.13D-09 OVMax= 5.85D-07

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  3.48D-08    CP:  1.19D+00  1.04D+00  8.46D-01  8.15D-01  7.53D-01
                    CP:  9.24D-01  7.12D-01  8.80D-01
 E= -271.251888450008     Delta-E=       -0.000000000007 Rises=F Damp=F
 DIIS: error= 3.29D-08 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -271.251888450008     IErMin= 9 ErrMin= 3.29D-08
 ErrMax= 3.29D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.78D-13 BMatP= 4.23D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.270D-05-0.986D-04-0.191D-03-0.294D-03 0.154D-03 0.176D-01
 Coeff-Com:  0.484D-01 0.332D+00 0.603D+00
 Coeff:      0.270D-05-0.986D-04-0.191D-03-0.294D-03 0.154D-03 0.176D-01
 Coeff:      0.484D-01 0.332D+00 0.603D+00
 Gap=     0.244 Goal=   None    Shift=    0.000
 RMSDP=1.10D-08 MaxDP=5.64D-07 DE=-6.93D-12 OVMax= 1.84D-07

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  7.15D-09    CP:  1.19D+00  1.04D+00  8.46D-01  8.15D-01  7.53D-01
                    CP:  9.25D-01  7.12D-01  8.89D-01  8.13D-01
 E= -271.251888450013     Delta-E=       -0.000000000005 Rises=F Damp=F
 DIIS: error= 1.11D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -271.251888450013     IErMin=10 ErrMin= 1.11D-08
 ErrMax= 1.11D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.23D-14 BMatP= 4.78D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.481D-06-0.840D-05-0.298D-04-0.754D-04-0.226D-03 0.680D-03
 Coeff-Com:  0.295D-02 0.535D-01 0.270D+00 0.673D+00
 Coeff:      0.481D-06-0.840D-05-0.298D-04-0.754D-04-0.226D-03 0.680D-03
 Coeff:      0.295D-02 0.535D-01 0.270D+00 0.673D+00
 Gap=     0.244 Goal=   None    Shift=    0.000
 RMSDP=2.82D-09 MaxDP=6.70D-08 DE=-5.34D-12 OVMax= 5.40D-08

 SCF Done:  E(RB3LYP) =  -271.251888450     A.U. after   10 cycles
            NFock= 10  Conv=0.28D-08     -V/T= 2.0122
 KE= 2.679701252620D+02 PE=-1.150758206110D+03 EE= 3.491692699765D+02
 Leave Link  502 at Fri Jul 16 13:10:43 2021, MaxMem=  5637144576 cpu:             292.4 elap:              37.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   204
 NBasis=   204 NAE=    25 NBE=    25 NFC=     0 NFV=     0
 NROrb=    204 NOA=    25 NOB=    25 NVA=   179 NVB=   179

 **** Warning!!: The largest alpha MO coefficient is  0.48580895D+02

 Leave Link  801 at Fri Jul 16 13:10:44 2021, MaxMem=  5637144576 cpu:               0.8 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         4527 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5637144576 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          15
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 7.46D-14 8.33D-09 XBig12= 1.00D+00 5.53D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 7.46D-14 8.33D-09 XBig12= 3.16D-01 1.10D-01.
     11 vectors produced by pass  2 Test12= 7.46D-14 8.33D-09 XBig12= 5.09D-02 3.78D-02.
     11 vectors produced by pass  3 Test12= 7.46D-14 8.33D-09 XBig12= 3.39D-03 9.16D-03.
     11 vectors produced by pass  4 Test12= 7.46D-14 8.33D-09 XBig12= 1.12D-04 2.08D-03.
     11 vectors produced by pass  5 Test12= 7.46D-14 8.33D-09 XBig12= 2.50D-06 3.62D-04.
     11 vectors produced by pass  6 Test12= 7.46D-14 8.33D-09 XBig12= 3.37D-08 2.78D-05.
     11 vectors produced by pass  7 Test12= 7.46D-14 8.33D-09 XBig12= 2.92D-10 3.44D-06.
      8 vectors produced by pass  8 Test12= 7.46D-14 8.33D-09 XBig12= 1.36D-12 3.00D-07.
      2 vectors produced by pass  9 Test12= 7.46D-14 8.33D-09 XBig12= 6.02D-15 2.50D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 3.55D-14
 Solved reduced A of dimension    98 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.118496D+03
      2 -0.294810D-05  0.813948D+02
      3 -0.431079D+01 -0.176399D-04  0.740649D+02
 Isotropic polarizability for W=    0.085645       91.32 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1   0.108262D-02 -0.807472D+02 -0.904394D-03
      2  -0.162168D-02  0.314619D+02  0.267432D-03
      3   0.539065D-03  0.492853D+02  0.636962D-03
      4  -0.113461D+03 -0.152943D-02  0.631909D+02
      5  -0.976057D-03  0.647178D+02  0.126143D-02
      6   0.433914D+02 -0.919467D-04  0.411677D+01
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.528601D+01 -0.836217D-04  0.375805D+01
      2   0.372379D-04  0.209995D+02  0.284503D-03
      3   0.360039D+02  0.450177D-03 -0.175650D+02
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1   0.152688D+01 -0.359379D-03  0.451685D+02
      2   0.716625D-04  0.197995D+02  0.722369D-03
      3  -0.327134D+02 -0.922500D-04 -0.213264D+02
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1   0.209896D+01 -0.243686D-04 -0.838361D+01
      2  -0.243686D-04 -0.647563D+01 -0.104905D-03
      3  -0.838361D+01 -0.104905D-03  0.252515D+01
 OR G Eigenvalues:    -6.4756    -6.0743    10.6984  Iso=     0.6172
 Eigenvectors:
   (1)   0.000159   1.000000   0.000160
   (2)   0.716034  -0.000226   0.698065
   (3)  -0.698065  -0.000003   0.716034
 w=    0.085645 a.u., Optical Rotation Beta=      0.6172 au.
 Molar Mass =     92.1402 grams/mole, [Alpha] ( 5320.0 A) =      317.67 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   20910 ScalPx= 2.62D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   20910 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 3.93D+02
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 1.24D-14 2.78D-09 XBig12= 1.00D+00 4.60D-01.
     30 vectors produced by pass  1 Test12= 1.24D-14 2.78D-09 XBig12= 3.09D-02 8.44D-02.
     30 vectors produced by pass  2 Test12= 1.24D-14 2.78D-09 XBig12= 1.52D-03 8.83D-03.
     30 vectors produced by pass  3 Test12= 1.24D-14 2.78D-09 XBig12= 8.06D-06 5.83D-04.
     30 vectors produced by pass  4 Test12= 1.24D-14 2.78D-09 XBig12= 7.52D-08 6.89D-05.
     30 vectors produced by pass  5 Test12= 1.24D-14 2.78D-09 XBig12= 2.65D-10 2.73D-06.
     26 vectors produced by pass  6 Test12= 1.24D-14 2.78D-09 XBig12= 5.43D-13 9.78D-08.
      1 vectors produced by pass  7 Test12= 1.24D-14 2.78D-09 XBig12= 6.21D-16 4.02D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.22D-15
 Solved reduced A of dimension   207 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   20910 ScalPx= 5.62D+02
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   20910 ScalPx= 5.62D+02
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   20910 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 6.69D+02
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.118496D+03 -0.294810D-05 -0.431079D+01
      2  -0.294810D-05  0.813948D+02 -0.176399D-04
      3  -0.431079D+01 -0.176399D-04  0.740649D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.528601D+01 -0.836217D-04  0.375805D+01
      2   0.372379D-04  0.209995D+02  0.284503D-03
      3   0.360039D+02  0.450177D-03 -0.175650D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.108262D-02 -0.807472D+02 -0.904394D-03
      2  -0.162168D-02  0.314619D+02  0.267432D-03
      3   0.539065D-03  0.492853D+02  0.636962D-03
      4  -0.113461D+03 -0.152943D-02  0.631909D+02
      5  -0.976057D-03  0.647178D+02  0.126143D-02
      6   0.433914D+02 -0.919467D-04  0.411677D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    45 ND12= 1 LenFil=    1623:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.110362D+02  0.458975D+01  0.591829D+01 -0.308657D+01 -0.153098D+01
      2   0.458975D+01 -0.246987D+01  0.314170D+00 -0.153098D+01 -0.472389D+01
      3   0.591829D+01  0.314170D+00  0.198453D+01 -0.741859D-01 -0.173428D+00
                 6             7             8             9            10 
      1  -0.741859D-01  0.346407D+01  0.298801D+01  0.237882D+01  0.653224D-03
      2  -0.173428D+00  0.298801D+01  0.186245D+01  0.487486D+00 -0.111649D+02
      3   0.220199D+01  0.237882D+01  0.487486D+00 -0.509652D+01 -0.118934D-03
                11            12            13            14            15 
      1  -0.111649D+02 -0.118934D-03 -0.813660D+01  0.168315D-03 -0.510918D+01
      2   0.434576D-04 -0.955829D+00  0.168315D-03 -0.162747D+01  0.718143D-05
      3  -0.955829D+00  0.142519D-05 -0.510918D+01  0.718143D-05 -0.117420D+01
                16            17            18            19            20 
      1  -0.147010D-03 -0.734222D+01 -0.136876D-03 -0.114947D+02  0.752723D+01
      2  -0.734222D+01 -0.662425D-05 -0.137552D+01  0.752723D+01 -0.550463D+01
      3  -0.136876D-03 -0.137552D+01 -0.103083D-03  0.304351D+01 -0.117745D+01
                21            22            23            24            25 
      1   0.304351D+01  0.143388D+02 -0.515712D+01  0.509247D+00  0.118590D+02
      2  -0.117745D+01 -0.515712D+01  0.662250D+01  0.265653D+00 -0.462669D+00
      3  -0.324202D+01  0.509247D+00  0.265653D+00  0.612131D+00 -0.116074D+01
                26            27            28            29            30 
      1  -0.462669D+00 -0.116074D+01  0.525460D+01 -0.407257D+01 -0.696213D+01
      2   0.101720D+00  0.736570D+00 -0.407257D+01  0.418954D+01  0.151917D+01
      3   0.736570D+00  0.241939D+01 -0.696213D+01  0.151917D+01  0.396934D+01
                31            32            33            34            35 
      1  -0.741263D+01  0.829265D+01 -0.162844D+01 -0.122922D+02  0.327636D-01
      2   0.829265D+01 -0.860360D+01  0.211506D+01  0.327636D-01  0.345895D+01
      3  -0.162844D+01  0.211506D+01  0.209295D+01  0.548070D+01  0.675542D+00
                36            37            38            39            40 
      1   0.548070D+01 -0.110363D+02  0.458988D+01 -0.591817D+01 -0.308655D+01
      2   0.675542D+00  0.458988D+01  0.246986D+01  0.314299D+00  0.153090D+01
      3  -0.209355D+01 -0.591817D+01  0.314299D+00 -0.198454D+01 -0.740825D-01
                41            42            43            44            45 
      1   0.153090D+01 -0.740825D-01 -0.346401D+01  0.298815D+01 -0.237880D+01
      2  -0.472397D+01  0.173352D+00  0.298815D+01 -0.186249D+01  0.487152D+00
      3   0.173352D+00  0.220176D+01 -0.237880D+01  0.487152D+00  0.509686D+01
                46            47            48            49            50 
      1   0.114937D+02  0.752714D+01 -0.304338D+01  0.143388D+02  0.515709D+01
      2   0.752714D+01  0.550465D+01 -0.117745D+01  0.515709D+01  0.662267D+01
      3  -0.304338D+01 -0.117745D+01  0.324197D+01  0.509231D+00 -0.265705D+00
                51            52            53            54            55 
      1   0.509231D+00 -0.118588D+02 -0.462675D+00  0.116083D+01 -0.525404D+01
      2  -0.265705D+00 -0.462675D+00 -0.101767D+00  0.736730D+00 -0.407253D+01
      3   0.612270D+00  0.116083D+01  0.736730D+00 -0.241955D+01  0.696205D+01
                56            57            58            59            60 
      1  -0.407253D+01  0.696205D+01 -0.741252D+01 -0.829257D+01 -0.162835D+01
      2  -0.418959D+01  0.151929D+01 -0.829257D+01 -0.860355D+01 -0.211517D+01
      3   0.151929D+01 -0.396939D+01 -0.162835D+01 -0.211517D+01  0.209279D+01
                61            62            63            64            65 
      1   0.122921D+02  0.328798D-01 -0.548083D+01 -0.976391D+00  0.170675D+01
      2   0.328798D-01 -0.345903D+01  0.675331D+00  0.170675D+01 -0.318822D+01
      3  -0.548083D+01  0.675331D+00  0.209374D+01  0.687116D-01  0.811504D+00
                66            67            68            69            70 
      1   0.687116D-01  0.382294D+01 -0.329610D+01  0.858720D+00  0.173350D+01
      2   0.811504D+00 -0.329610D+01  0.111160D+02 -0.234448D+01 -0.427530D+00
      3  -0.738466D+00  0.858720D+00 -0.234448D+01  0.174599D+01 -0.432010D+00
                71            72            73            74            75 
      1  -0.427530D+00 -0.432010D+00  0.106615D+01 -0.854695D-01 -0.457618D+00
      2   0.772980D+00  0.129116D+01 -0.854695D-01 -0.383326D+00 -0.123734D+00
      3   0.129116D+01 -0.130845D+01 -0.457618D+00 -0.123734D+00  0.110520D+01
                76            77            78            79            80 
      1  -0.624353D+00 -0.553970D+00 -0.380344D-01 -0.205219D+01 -0.294590D+00
      2  -0.553970D+00  0.750367D+00 -0.123629D+01 -0.294590D+00 -0.184489D+01
      3  -0.380344D-01 -0.123629D+01 -0.184589D+01 -0.791389D+00  0.183923D+01
                81            82            83            84            85 
      1  -0.791389D+00  0.976359D+00  0.170672D+01 -0.686839D-01  0.382296D+01
      2   0.183923D+01  0.170672D+01  0.318814D+01  0.811552D+00  0.329607D+01
      3  -0.116324D+02 -0.686839D-01  0.811552D+00  0.738494D+00  0.858778D+00
                86            87            88            89            90 
      1   0.329607D+01  0.858778D+00 -0.173340D+01 -0.427454D+00  0.432020D+00
      2   0.111159D+02  0.234466D+01 -0.427454D+00 -0.772775D+00  0.129116D+01
      3   0.234466D+01  0.174606D+01  0.432020D+00  0.129116D+01  0.130853D+01
                91            92            93            94            95 
      1  -0.106614D+01 -0.854931D-01  0.457596D+00 -0.624385D+00  0.553978D+00
      2  -0.854931D-01  0.383343D+00 -0.123688D+00  0.553978D+00  0.750225D+00
      3   0.457596D+00 -0.123688D+00 -0.110519D+01 -0.380414D-01  0.123629D+01
                96            97            98            99           100 
      1  -0.380414D-01  0.205217D+01 -0.294594D+00  0.791367D+00  0.226718D+01
      2   0.123629D+01 -0.294594D+00  0.184480D+01  0.183895D+01 -0.127082D+01
      3  -0.184616D+01  0.791367D+00  0.183895D+01  0.116323D+02 -0.321890D+00
               101           102           103           104           105 
      1  -0.127082D+01 -0.321890D+00 -0.212035D+01  0.141408D+01  0.168323D+01
      2  -0.410667D+00 -0.696955D+00  0.141408D+01 -0.397232D+01 -0.343697D+01
      3  -0.696955D+00 -0.119582D+01  0.168323D+01 -0.343697D+01 -0.372807D+01
               106           107           108           109           110 
      1  -0.986094D+00  0.160148D+01  0.117905D+01  0.141366D+02 -0.281237D+01
      2   0.160148D+01 -0.445140D+01 -0.374067D+01 -0.281237D+01  0.177653D+01
      3   0.117905D+01 -0.374067D+01 -0.478662D+01  0.153441D+01 -0.168911D+00
               111           112           113           114           115 
      1   0.153441D+01 -0.849527D+00  0.139909D+01  0.124398D+01  0.504907D+01
      2  -0.168911D+00  0.139909D+01 -0.375147D+00 -0.516950D+00  0.233550D+00
      3   0.113432D+01  0.124398D+01 -0.516950D+00 -0.491809D+00  0.160096D+01
               116           117           118           119           120 
      1   0.233550D+00  0.160096D+01 -0.141366D+02 -0.281247D+01 -0.153444D+01
      2  -0.585957D+00 -0.601268D+00 -0.281247D+01 -0.177656D+01 -0.168948D+00
      3  -0.601268D+00  0.642512D+00 -0.153444D+01 -0.168948D+00 -0.113430D+01
               121           122           123           124           125 
      1  -0.849667D+00 -0.139918D+01  0.124396D+01 -0.504910D+01  0.233497D+00
      2  -0.139918D+01 -0.375231D+00  0.516973D+00  0.233497D+00  0.585968D+00
      3   0.124396D+01  0.516973D+00 -0.491811D+00 -0.160092D+01 -0.601251D+00
               126           127           128           129           130 
      1  -0.160092D+01 -0.226713D+01 -0.127081D+01  0.321859D+00 -0.212035D+01
      2  -0.601251D+00 -0.127081D+01  0.410760D+00 -0.697026D+00 -0.141411D+01
      3  -0.642533D+00  0.321859D+00 -0.697026D+00  0.119587D+01  0.168317D+01
               131           132           133           134           135 
      1  -0.141411D+01  0.168317D+01  0.986064D+00  0.160141D+01 -0.117892D+01
      2  -0.397251D+01  0.343700D+01  0.160141D+01  0.445145D+01 -0.374060D+01
      3   0.343700D+01 -0.372800D+01 -0.117892D+01 -0.374060D+01  0.478639D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.225273D+01 -0.404599D+01 -0.403171D+01 -0.524195D+00 -0.118851D+02
      2   0.788618D+00 -0.249845D+00  0.296085D+01 -0.501970D+01  0.641756D+01
      3   0.379751D+01  0.350742D+01  0.511814D+01  0.570093D+01  0.352612D+01
                 6             7             8             9            10 
      1  -0.926332D+01 -0.226400D+01  0.867979D+01  0.133356D+02 -0.174534D-03
      2   0.512797D+01 -0.260453D+01 -0.164203D+01 -0.987736D+01  0.877418D+01
      3   0.117003D+01  0.406610D+01 -0.127396D+01 -0.734095D+00  0.527656D-03
                11            12            13            14            15 
      1   0.360952D+00  0.527508D-05 -0.121848D+02  0.206525D-04 -0.286262D+01
      2   0.000000D+00  0.999580D+01 -0.304265D-04 -0.352696D+01 -0.586780D-04
      3  -0.169893D+02 -0.288600D-04  0.215948D+02  0.795267D-04 -0.734136D+00
                16            17            18            19            20 
      1  -0.162053D-03  0.104351D+01  0.000000D+00 -0.125844D+01  0.257594D+01
      2  -0.240971D+02 -0.143894D-03  0.163300D+01 -0.125163D+00  0.144117D+01
      3   0.602997D-05 -0.401159D+01 -0.390052D-05  0.548762D+00  0.530974D+01
                21            22            23            24            25 
      1  -0.575799D+01  0.409302D+01 -0.792213D+01 -0.230233D+01 -0.104318D+02
      2  -0.421952D+01  0.158897D+01 -0.295359D+01  0.254043D+01 -0.177019D+02
      3  -0.509403D+01  0.231176D+02 -0.181637D+02  0.696486D+00  0.863604D-01
                26            27            28            29            30 
      1   0.565872D+01  0.462493D+01 -0.599998D+01 -0.264362D+01  0.529371D+01
      2   0.367910D+01  0.552988D+01 -0.160483D+02  0.655330D+01  0.101023D+02
      3   0.202937D+01  0.477285D+01  0.113912D+02 -0.124841D+02 -0.131641D+01
                31            32            33            34            35 
      1  -0.273906D+01  0.269272D+01 -0.226393D+01  0.128707D+01  0.384068D+01
      2  -0.442506D+01  0.870909D+01  0.496428D+01  0.116667D+01  0.693624D+01
      3  -0.110306D+02  0.141387D+02 -0.779879D+01  0.821926D+01 -0.961706D+01
                36            37            38            39            40 
      1   0.193344D+01 -0.225277D+01 -0.404618D+01  0.403162D+01 -0.524360D+00
      2  -0.293399D+01  0.788547D+00  0.249628D+00  0.296102D+01  0.501940D+01
      3  -0.804879D+01 -0.379753D+01  0.350770D+01 -0.511798D+01  0.570113D+01
                41            42            43            44            45 
      1   0.118851D+02 -0.926265D+01  0.226390D+01  0.868051D+01 -0.133358D+02
      2   0.641763D+01 -0.512749D+01 -0.260410D+01  0.164280D+01 -0.987785D+01
      3  -0.352606D+01  0.116987D+01 -0.406591D+01 -0.127396D+01  0.733725D+00
                46            47            48            49            50 
      1   0.125876D+01  0.257578D+01  0.575804D+01  0.409292D+01  0.792218D+01
      2  -0.124985D+00 -0.144090D+01 -0.421965D+01 -0.158860D+01 -0.295342D+01
      3  -0.549463D+00  0.530934D+01  0.509396D+01  0.231173D+02  0.181636D+02
                51            52            53            54            55 
      1  -0.230208D+01  0.104319D+02  0.565899D+01 -0.462490D+01  0.599988D+01
      2  -0.254074D+01 -0.177024D+02 -0.367953D+01  0.553020D+01 -0.160483D+02
      3   0.696776D+00 -0.864117D-01  0.202973D+01 -0.477267D+01 -0.113910D+02
                56            57            58            59            60 
      1  -0.264341D+01 -0.529385D+01 -0.273893D+01 -0.269279D+01 -0.226398D+01
      2  -0.655381D+01  0.101025D+02  0.442466D+01  0.870914D+01 -0.496394D+01
      3  -0.124843D+02  0.131670D+01 -0.110304D+02 -0.141382D+02 -0.779918D+01
                61            62            63            64            65 
      1  -0.128717D+01  0.384072D+01 -0.193329D+01 -0.202921D+01  0.388644D+01
      2   0.116741D+01 -0.693575D+01 -0.293474D+01 -0.279634D+01  0.122929D+01
      3  -0.821912D+01 -0.961752D+01  0.804852D+01  0.236075D+01 -0.320496D+01
                66            67            68            69            70 
      1  -0.516758D+00  0.263747D+01 -0.123731D+02 -0.150690D+01 -0.861149D-01
      2   0.122982D+01  0.206580D+01 -0.108966D+01 -0.156515D+01  0.166882D+00
      3   0.994419D+00  0.262494D+01  0.909468D+01 -0.224610D+01  0.120414D+01
                71            72            73            74            75 
      1  -0.230763D+01  0.328786D+00  0.186629D+01 -0.274760D+00 -0.115616D+01
      2  -0.212374D+01  0.152823D+01  0.307168D+01 -0.547358D+00 -0.636112D+00
      3   0.322256D+00  0.939098D+00 -0.118615D+01 -0.148705D+01  0.731410D-01
                76            77            78            79            80 
      1   0.149518D+00 -0.111391D+00  0.373167D+01  0.572110D+00  0.225495D+01
      2  -0.889007D+00  0.113259D+01  0.305859D+01 -0.400208D+01 -0.276890D+01
      3  -0.676033D+00  0.161331D+00 -0.172890D+01 -0.332988D+01 -0.200598D+01
                81            82            83            84            85 
      1   0.127019D+02  0.202919D+01  0.388636D+01  0.516858D+00  0.263740D+01
      2   0.138165D+02 -0.279624D+01 -0.122922D+01  0.122981D+01 -0.206580D+01
      3   0.335377D+00 -0.236076D+01 -0.320493D+01 -0.994458D+00  0.262498D+01
                86            87            88            89            90 
      1   0.123732D+02 -0.150664D+01  0.861676D-01 -0.230729D+01 -0.328874D+00
      2  -0.108950D+01  0.156515D+01  0.166865D+00  0.212363D+01  0.152830D+01
      3  -0.909456D+01 -0.224622D+01 -0.120403D+01  0.322124D+00 -0.939091D+00
                91            92            93            94            95 
      1  -0.186629D+01 -0.274813D+00  0.115614D+01  0.149496D+00  0.111204D+00
      2   0.307160D+01  0.547457D+00 -0.636042D+00  0.889119D+00  0.113258D+01
      3   0.118623D+01 -0.148702D+01 -0.732160D-01 -0.676078D+00 -0.161172D+00
                96            97            98            99           100 
      1   0.373203D+01 -0.572066D+00  0.225532D+01 -0.127017D+02  0.115468D+01
      2  -0.305892D+01 -0.400211D+01  0.276853D+01  0.138163D+02 -0.114777D+01
      3  -0.172895D+01  0.332973D+01 -0.200589D+01 -0.335082D+00  0.206211D+01
               101           102           103           104           105 
      1   0.491350D-01 -0.232613D+01  0.372669D+01 -0.139245D+01 -0.509485D+01
      2  -0.235140D+01 -0.263064D+01  0.114131D+01 -0.814579D+01 -0.915587D+01
      3   0.185370D+01  0.254546D+01 -0.126847D+01  0.956959D+01  0.873196D+01
               106           107           108           109           110 
      1  -0.113807D+01  0.153500D+01 -0.492348D+01  0.313499D+01  0.272552D+00
      2   0.199504D+01 -0.104719D+02 -0.115047D+02  0.107927D+02 -0.293572D+01
      3  -0.209863D+01  0.116127D+02  0.101624D+02 -0.515822D+01 -0.534809D+01
               111           112           113           114           115 
      1   0.118213D+01 -0.173377D+00  0.281249D+00 -0.385974D+00  0.207630D+01
      2   0.671158D+01  0.341102D+01 -0.230686D+01 -0.130666D+01  0.340632D+01
      3  -0.827329D+00  0.356335D+00 -0.667168D+00  0.465220D+00 -0.607146D+01
               116           117           118           119           120 
      1   0.163884D+00 -0.145475D-01 -0.313500D+01  0.272529D+00 -0.118216D+01
      2  -0.880014D+00  0.370246D+01  0.107926D+02  0.293583D+01  0.671153D+01
      3   0.938427D+00  0.160083D+01  0.515821D+01 -0.534809D+01  0.827298D+00
               121           122           123           124           125 
      1  -0.173322D+00 -0.281206D+00 -0.386004D+00 -0.207625D+01  0.163841D+00
      2  -0.341087D+01 -0.230689D+01  0.130673D+01  0.340610D+01  0.879946D+00
      3   0.356144D+00  0.666954D+00  0.465308D+00  0.607134D+01  0.938516D+00
               126           127           128           129           130 
      1   0.145373D-01 -0.115466D+01  0.490801D-01  0.232626D+01  0.372659D+01
      2   0.370251D+01 -0.114781D+01  0.235157D+01 -0.263075D+01 -0.114123D+01
      3  -0.160082D+01 -0.206216D+01  0.185398D+01 -0.254567D+01 -0.126845D+01
               131           132           133           134           135 
      1   0.139256D+01 -0.509493D+01  0.113814D+01  0.153492D+01  0.492338D+01
      2  -0.814593D+01  0.915570D+01  0.199479D+01  0.104718D+02 -0.115041D+02
      3  -0.957008D+01  0.873210D+01  0.209852D+01  0.116128D+02 -0.101622D+02
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.341386D+01  0.100498D+02  0.551404D+01  0.329818D+01  0.554086D+01
      2  -0.591639D+01 -0.152393D+02 -0.104141D+02 -0.620570D+01 -0.217529D+02
      3   0.933025D+01  0.518951D+01  0.490011D+01  0.290751D+01  0.162121D+02
      4   0.424236D+01 -0.689403D+01  0.203567D+01 -0.224090D+01 -0.240515D+02
      5   0.226655D+02  0.710380D+01  0.128472D+02 -0.321372D+00 -0.428565D+01
      6   0.143668D+02 -0.188773D+01  0.238061D+01 -0.395881D+01 -0.487634D+01
                 6             7             8             9            10 
      1  -0.402218D+01 -0.554971D+01  0.950330D-01  0.195285D+02  0.227333D+02
      2  -0.620117D+01 -0.197559D+01  0.512808D+01  0.128296D+02 -0.285815D+01
      3   0.102233D+02  0.752530D+01 -0.522311D+01 -0.323580D+02 -0.198751D+02
      4  -0.506801D+01  0.885323D+01  0.154795D+01  0.130037D+01 -0.560719D-03
      5   0.145365D+01  0.149568D+02  0.394881D+01 -0.427327D+01 -0.436522D+02
      6   0.351596D+01  0.711785D+01  0.611039D+01  0.680878D+00  0.575451D-03
                11            12            13            14            15 
      1  -0.125874D-03  0.157194D+01 -0.169033D-03  0.186753D+01 -0.272309D-04
      2   0.195508D-03  0.437956D+01  0.227826D-03  0.462979D+01  0.169552D-03
      3  -0.696340D-04 -0.595150D+01 -0.587936D-04 -0.649732D+01 -0.142321D-03
      4   0.170006D+02  0.173124D-03 -0.693191D+01 -0.167047D-04  0.281809D+01
      5   0.225353D-03  0.309577D+00  0.270281D-03 -0.100283D+02  0.264838D-04
      6  -0.942068D+01 -0.676912D-04 -0.112138D+02  0.292657D-03 -0.376553D+01
                16            17            18            19            20 
      1   0.124006D+02 -0.199009D-05 -0.561531D+01 -0.250408D+02  0.721015D+01
      2  -0.152839D+01  0.338686D-03 -0.162995D+00  0.903178D+01  0.574758D+01
      3  -0.108722D+02 -0.336695D-03  0.577830D+01  0.160090D+02 -0.129577D+02
      4   0.246075D-03  0.177960D+01 -0.750928D-05  0.229262D+02 -0.239640D+02
      5  -0.249227D+02 -0.102178D-03 -0.625719D+01  0.330248D+02 -0.106501D+02
      6  -0.145857D-03 -0.776326D+01 -0.246359D-03 -0.720900D+01  0.353703D+01
                21            22            23            24            25 
      1   0.108957D+02  0.201243D+02 -0.145224D+02 -0.223065D+01  0.173374D+02
      2  -0.873955D+01 -0.634435D+01  0.366703D+01  0.528059D+01 -0.729124D+01
      3  -0.215613D+01 -0.137799D+02  0.108554D+02 -0.304994D+01 -0.100462D+02
      4  -0.598614D+01 -0.208823D+02  0.315012D+02 -0.727901D+00 -0.194091D+02
      5  -0.172428D+02 -0.141979D+02  0.612465D+01  0.899291D+01 -0.529994D+01
      6   0.434503D+01  0.751067D+01 -0.344511D+01  0.542792D+01  0.720327D+01
                26            27            28            29            30 
      1  -0.182220D+01 -0.149375D+02 -0.368011D+01 -0.623329D+01 -0.262624D+02
      2  -0.350240D+01  0.315002D+01 -0.468743D+00 -0.103056D+01  0.173527D+02
      3   0.532460D+01  0.117875D+02  0.414886D+01  0.726385D+01  0.890974D+01
      4   0.169386D+01  0.267084D+01 -0.988016D+01  0.214784D+02  0.115562D+02
      5   0.207268D+01  0.920089D+01 -0.454441D+02  0.100128D+02  0.224944D+02
      6   0.689798D+01 -0.435428D+01  0.110680D+02 -0.588204D+01 -0.343723D+01
                31            32            33            34            35 
      1  -0.286193D+01  0.139045D+02  0.757635D+01 -0.464203D+02  0.153044D+02
      2  -0.159375D+02  0.136837D+02 -0.250577D+01  0.332381D+02 -0.145150D+02
      3   0.187994D+02 -0.275882D+02 -0.507058D+01  0.131822D+02 -0.789427D+00
      4   0.452864D+02 -0.415072D+02  0.538551D+01  0.654150D+01  0.115606D+02
      5  -0.460668D+01  0.621191D+01  0.874705D+01  0.357676D+02 -0.106497D+01
      6  -0.202451D+01 -0.985936D+01 -0.494314D+01 -0.703792D+01 -0.285066D+01
                36            37            38            39            40 
      1   0.227978D+02 -0.341381D+01 -0.100498D+02  0.551360D+01 -0.329795D+01
      2  -0.187818D+02 -0.591579D+01  0.152397D+02 -0.104137D+02  0.620601D+01
      3  -0.401601D+01  0.932960D+01 -0.518993D+01  0.490011D+01 -0.290806D+01
      4   0.591792D+00 -0.424266D+01 -0.689407D+01 -0.203605D+01 -0.224069D+01
      5  -0.153369D+02  0.226655D+02 -0.710426D+01  0.128470D+02  0.320912D+00
      6  -0.853890D+01 -0.143670D+02 -0.188717D+01 -0.238100D+01 -0.395838D+01
                41            42            43            44            45 
      1   0.554094D+01  0.402144D+01 -0.554997D+01 -0.958350D-01  0.195293D+02
      2  -0.217532D+02  0.620020D+01 -0.197502D+01 -0.512933D+01  0.128298D+02
      3   0.162123D+02 -0.102216D+02  0.752500D+01  0.522516D+01 -0.323591D+02
      4   0.240521D+02 -0.506766D+01 -0.885386D+01  0.154844D+01 -0.129990D+01
      5  -0.428519D+01 -0.145362D+01  0.149568D+02 -0.394839D+01 -0.427396D+01
      6   0.487535D+01  0.351630D+01 -0.711803D+01  0.611002D+01 -0.679110D+00
                46            47            48            49            50 
      1  -0.250397D+02 -0.721016D+01  0.108956D+02 -0.201244D+02 -0.145227D+02
      2   0.903102D+01 -0.574760D+01 -0.873942D+01  0.634401D+01  0.366681D+01
      3   0.160087D+02  0.129578D+02 -0.215617D+01  0.137803D+02  0.108559D+02
      4  -0.229250D+02 -0.239639D+02  0.598622D+01 -0.208828D+02 -0.315017D+02
      5   0.330241D+02  0.106502D+02 -0.172425D+02  0.141979D+02  0.612481D+01
      6   0.720825D+01  0.353669D+01 -0.434506D+01  0.751053D+01  0.344456D+01
                51            52            53            54            55 
      1   0.223130D+01  0.173370D+02  0.182276D+01 -0.149380D+02 -0.368105D+01
      2  -0.528099D+01 -0.729063D+01  0.350202D+01  0.314996D+01 -0.468171D+00
      3   0.304968D+01 -0.100464D+02 -0.532478D+01  0.117880D+02  0.414922D+01
      4  -0.727717D+00  0.194093D+02  0.169379D+01 -0.267135D+01  0.987920D+01
      5  -0.899323D+01 -0.529961D+01 -0.207308D+01  0.920118D+01 -0.454436D+02
      6   0.542784D+01 -0.720314D+01  0.689823D+01  0.435436D+01 -0.110679D+02
                56            57            58            59            60 
      1   0.623286D+01 -0.262619D+02  0.286141D+01  0.139047D+02 -0.757713D+01
      2   0.103080D+01  0.173523D+02  0.159375D+02  0.136833D+02  0.250675D+01
      3  -0.726365D+01  0.890964D+01 -0.187989D+02 -0.275880D+02  0.507038D+01
      4   0.214783D+02 -0.115567D+02  0.452856D+02  0.415070D+02  0.538578D+01
      5  -0.100133D+02  0.224945D+02  0.460611D+01  0.621222D+01 -0.874627D+01
      6  -0.588224D+01  0.343763D+01 -0.202419D+01  0.986019D+01 -0.494314D+01
                61            62            63            64            65 
      1  -0.464198D+02 -0.153053D+02  0.227980D+02  0.391726D+01  0.158152D+01
      2   0.332377D+02  0.145160D+02 -0.187822D+02  0.381645D+01 -0.899439D+01
      3   0.131821D+02  0.789300D+00 -0.401584D+01 -0.773371D+01  0.741287D+01
      4  -0.654229D+01  0.115606D+02 -0.590685D+00 -0.111898D+02  0.181869D+02
      5   0.357681D+02  0.106604D+01 -0.153379D+02  0.105268D+01 -0.484457D+01
      6   0.703855D+01 -0.285034D+01  0.853830D+01 -0.161001D+01  0.528051D+01
                66            67            68            69            70 
      1  -0.180091D+01  0.173886D+01 -0.226830D+02  0.614667D+01 -0.200265D+01
      2   0.264185D+01 -0.994316D+01  0.434489D+02 -0.596418D+01  0.377614D-01
      3  -0.840946D+00  0.820429D+01 -0.207660D+02 -0.182483D+00  0.196489D+01
      4  -0.410060D+01  0.168127D+02 -0.364555D+02  0.807098D+01  0.157785D+01
      5   0.413469D+01 -0.490750D+01  0.979476D+01 -0.541991D+01  0.819850D+00
      6  -0.236595D+01  0.746117D+01 -0.181153D+02  0.974567D+01 -0.148782D+01
                71            72            73            74            75 
      1   0.744615D+00 -0.529946D+01 -0.575497D+00  0.179268D+00  0.465249D+01
      2   0.532464D+01  0.100677D+01 -0.207400D+01 -0.699192D+00  0.963751D+00
      3  -0.606926D+01  0.429269D+01  0.264950D+01  0.519924D+00 -0.561624D+01
      4  -0.218086D+01 -0.445807D+01  0.825200D+00  0.339382D+01 -0.190390D+01
      5  -0.398657D+01  0.300694D+01 -0.208223D+00 -0.945006D+00  0.598794D+01
      6   0.570242D+01 -0.306860D+01  0.107121D+01 -0.286118D+00  0.133287D+01
                76            77            78            79            80 
      1   0.221969D+01 -0.463934D+01 -0.405802D+01  0.961311D+00  0.722802D+01
      2  -0.219159D+01  0.301709D+01 -0.677624D+01 -0.238297D+01 -0.198106D+00
      3  -0.281084D-01  0.162226D+01  0.108343D+02  0.142166D+01 -0.702991D+01
      4   0.264137D+01 -0.262709D+01  0.335091D+01  0.640278D-01  0.455592D+01
      5   0.235152D+01  0.307678D+01  0.302577D+01  0.634859D+01 -0.384694D+01
      6   0.162949D+01 -0.149167D+01  0.612636D+01 -0.920142D+00  0.799126D+01
                81            82            83            84            85 
      1  -0.337288D+02  0.391720D+01 -0.158153D+01 -0.180096D+01 -0.173883D+01
      2  -0.230302D+02  0.381635D+01  0.899404D+01  0.264196D+01  0.994272D+01
      3   0.567590D+02 -0.773355D+01 -0.741251D+01 -0.840997D+00 -0.820389D+01
      4  -0.327497D+01  0.111895D+02  0.181865D+02  0.410086D+01  0.168125D+02
      5   0.206180D+02  0.105285D+01  0.484483D+01  0.413486D+01  0.490787D+01
      6  -0.130955D+02  0.161024D+01  0.528080D+01  0.236614D+01  0.746153D+01
                86            87            88            89            90 
      1  -0.226830D+02 -0.614710D+01 -0.200273D+01 -0.745021D+00 -0.529960D+01
      2   0.434481D+02  0.596471D+01  0.379597D-01 -0.532385D+01  0.100669D+01
      3  -0.207652D+02  0.182398D+00  0.196477D+01  0.606887D+01  0.429292D+01
      4   0.364549D+02  0.807152D+01 -0.157750D+01 -0.218017D+01  0.445810D+01
      5   0.979531D+01  0.542022D+01  0.819907D+00  0.398665D+01  0.300719D+01
      6   0.181165D+02  0.974618D+01  0.148794D+01  0.570252D+01  0.306887D+01
                91            92            93            94            95 
      1  -0.575459D+00 -0.179472D+00  0.465235D+01 -0.221972D+01 -0.463920D+01
      2  -0.207392D+01  0.699183D+00  0.963831D+00  0.219156D+01  0.301680D+01
      3   0.264938D+01 -0.519711D+00 -0.561618D+01  0.281618D-01  0.162240D+01
      4  -0.825232D+00  0.339372D+01  0.190381D+01  0.264137D+01  0.262672D+01
      5  -0.208256D+00  0.944909D+00  0.598793D+01 -0.235166D+01  0.307678D+01
      6  -0.107138D+01 -0.286018D+00 -0.133269D+01  0.162955D+01  0.149124D+01
                96            97            98            99           100 
      1   0.405889D+01  0.961267D+00 -0.722712D+01 -0.337285D+02  0.910254D+01
      2   0.677660D+01 -0.238290D+01  0.198481D+00 -0.230304D+02 -0.247742D+01
      3  -0.108355D+02  0.142164D+01  0.702864D+01  0.567590D+02 -0.662511D+01
      4   0.335091D+01 -0.641573D-01  0.455576D+01  0.327452D+01 -0.740869D+01
      5  -0.302618D+01  0.634844D+01  0.384648D+01  0.206177D+02 -0.135122D+01
      6   0.612640D+01  0.920074D+00  0.799068D+01  0.130936D+02  0.176098D+01
               101           102           103           104           105 
      1  -0.863369D+01 -0.586139D+01 -0.392524D+01 -0.118398D+02 -0.949397D+01
      2   0.418530D+01  0.157280D+01  0.313629D+01  0.114806D+02  0.543624D+01
      3   0.444839D+01  0.428859D+01  0.788953D+00  0.359180D+00  0.405774D+01
      4   0.397253D+01  0.959512D+00  0.101344D+02 -0.151480D+02 -0.129905D+02
      5   0.312673D+00 -0.689223D+00  0.903512D+01 -0.137244D+02 -0.161537D+02
      6   0.282570D+01  0.322608D+01 -0.590488D+01  0.169068D+02  0.164002D+02
               106           107           108           109           110 
      1   0.214094D+01 -0.131929D+02 -0.160097D+02  0.873210D+02 -0.129455D+02
      2  -0.319256D+01  0.112190D+02  0.448929D+01 -0.399815D+02  0.362114D+01
      3   0.105163D+01  0.197388D+01  0.115204D+02 -0.473395D+02  0.932439D+01
      4   0.766398D+01 -0.168010D+02 -0.134440D+02 -0.316338D+02  0.160236D+02
      5   0.694826D+01 -0.140896D+02 -0.183293D+02  0.993112D+01 -0.171096D+01
      6  -0.623429D+01  0.177935D+02  0.191560D+02 -0.693135D+01  0.112255D+01
               111           112           113           114           115 
      1   0.920281D+01 -0.420866D+01  0.617391D+01  0.289846D+01  0.287699D+02
      2  -0.413044D+01  0.759060D+00 -0.159569D+01 -0.118304D+01 -0.162328D+02
      3  -0.507236D+01  0.344960D+01 -0.457823D+01 -0.171542D+01 -0.125371D+02
      4  -0.275382D+01  0.109623D+02 -0.310574D+01 -0.158609D+01 -0.316504D+01
      5   0.934540D+01  0.739554D+01 -0.218456D+01 -0.294859D+01  0.121681D+02
      6  -0.335938D+01 -0.126217D+01  0.181390D+01  0.264188D+01 -0.472801D+01
               116           117           118           119           120 
      1  -0.274332D+01  0.576830D+01  0.873209D+02  0.129459D+02  0.920285D+01
      2   0.163852D+01 -0.427052D+01 -0.399814D+02 -0.362125D+01 -0.413049D+01
      3   0.110480D+01 -0.149777D+01 -0.473395D+02 -0.932469D+01 -0.507236D+01
      4  -0.126682D+01 -0.484698D+01  0.316348D+02  0.160240D+02  0.275403D+01
      5  -0.325557D+01  0.608692D+01  0.993137D+01  0.171115D+01  0.934535D+01
      6   0.293435D+01 -0.731520D+00  0.693149D+01  0.112267D+01  0.335941D+01
               121           122           123           124           125 
      1   0.420922D+01  0.617411D+01 -0.289832D+01  0.287698D+02  0.274361D+01
      2  -0.759144D+00 -0.159562D+01  0.118294D+01 -0.162328D+02 -0.163871D+01
      3  -0.345008D+01 -0.457850D+01  0.171539D+01 -0.125370D+02 -0.110490D+01
      4   0.109630D+02  0.310632D+01 -0.158617D+01  0.316551D+01 -0.126679D+01
      5  -0.739540D+01 -0.218467D+01  0.294862D+01  0.121679D+02  0.325548D+01
      6  -0.126217D+01 -0.181395D+01  0.264188D+01  0.472793D+01  0.293436D+01
               126           127           128           129           130 
      1   0.576811D+01  0.910227D+01  0.863402D+01 -0.586147D+01  0.392520D+01
      2  -0.427040D+01 -0.247723D+01 -0.418563D+01  0.157291D+01 -0.313599D+01
      3  -0.149771D+01 -0.662504D+01 -0.444839D+01  0.428856D+01 -0.789213D+00
      4   0.484694D+01  0.740852D+01  0.397235D+01 -0.959267D+00  0.101345D+02
      5   0.608704D+01 -0.135096D+01 -0.312407D+00 -0.689524D+00 -0.903469D+01
      6   0.731575D+00 -0.176086D+01  0.282604D+01 -0.322639D+01 -0.590484D+01
               131           132           133           134           135 
      1  -0.118405D+02  0.949431D+01  0.214087D+01  0.131932D+02 -0.160097D+02
      2   0.114817D+02 -0.543683D+01 -0.319276D+01 -0.112197D+02  0.448989D+01
      3   0.358803D+00 -0.405748D+01  0.105189D+01 -0.197354D+01  0.115198D+02
      4   0.151484D+02 -0.129904D+02 -0.766361D+01 -0.168009D+02  0.134434D+02
      5  -0.137244D+02  0.161532D+02  0.694756D+01  0.140891D+02 -0.183281D+02
      6  -0.169072D+02  0.164001D+02  0.623388D+01  0.177934D+02 -0.191554D+02
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Fri Jul 16 13:17:13 2021, MaxMem=  5637144576 cpu:            3105.6 elap:             389.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -10.21536 -10.20879 -10.20879 -10.20337 -10.20336
 Alpha  occ. eigenvalues --  -10.18631 -10.18630  -0.89954  -0.82367  -0.72091
 Alpha  occ. eigenvalues --   -0.71336  -0.58864  -0.56656  -0.49757  -0.48289
 Alpha  occ. eigenvalues --   -0.46177  -0.46007  -0.44568  -0.43855  -0.36343
 Alpha  occ. eigenvalues --   -0.32488  -0.32270  -0.28775  -0.26399  -0.25794
 Alpha virt. eigenvalues --   -0.01425  -0.00899   0.01986   0.04712   0.04912
 Alpha virt. eigenvalues --    0.05080   0.07723   0.08041   0.09225   0.10632
 Alpha virt. eigenvalues --    0.10967   0.11459   0.12208   0.13681   0.15988
 Alpha virt. eigenvalues --    0.16205   0.16706   0.17178   0.17361   0.18336
 Alpha virt. eigenvalues --    0.18879   0.19816   0.19867   0.20801   0.22902
 Alpha virt. eigenvalues --    0.25546   0.26580   0.26817   0.27284   0.27832
 Alpha virt. eigenvalues --    0.28120   0.29304   0.29781   0.32050   0.32417
 Alpha virt. eigenvalues --    0.33034   0.33953   0.34330   0.34921   0.34932
 Alpha virt. eigenvalues --    0.35647   0.36713   0.37571   0.38017   0.38910
 Alpha virt. eigenvalues --    0.39198   0.39234   0.39849   0.40382   0.40776
 Alpha virt. eigenvalues --    0.41133   0.41558   0.42443   0.42628   0.43104
 Alpha virt. eigenvalues --    0.44216   0.45111   0.45338   0.46220   0.46628
 Alpha virt. eigenvalues --    0.47686   0.48604   0.48873   0.50491   0.50493
 Alpha virt. eigenvalues --    0.51409   0.51781   0.53177   0.54429   0.55730
 Alpha virt. eigenvalues --    0.56883   0.57024   0.57980   0.58821   0.59957
 Alpha virt. eigenvalues --    0.60718   0.64627   0.66270   0.66735   0.68211
 Alpha virt. eigenvalues --    0.69285   0.72590   0.73651   0.77447   0.86463
 Alpha virt. eigenvalues --    0.89311   0.90772   0.91219   0.92858   0.93830
 Alpha virt. eigenvalues --    0.95627   0.97153   0.97988   0.98851   0.99963
 Alpha virt. eigenvalues --    1.00765   1.01821   1.02359   1.03896   1.05688
 Alpha virt. eigenvalues --    1.06773   1.07137   1.08822   1.10938   1.12099
 Alpha virt. eigenvalues --    1.13995   1.14040   1.15792   1.18528   1.19527
 Alpha virt. eigenvalues --    1.19676   1.21729   1.29061   1.31914   1.33749
 Alpha virt. eigenvalues --    1.33774   1.36294   1.41493   1.45530   1.50882
 Alpha virt. eigenvalues --    1.53161   1.54801   1.54841   1.59848   1.67095
 Alpha virt. eigenvalues --    1.70148   1.71237   1.74209   1.74254   1.76366
 Alpha virt. eigenvalues --    1.78685   1.80621   1.83557   1.85104   1.86831
 Alpha virt. eigenvalues --    1.87066   1.89767   1.92392   1.92456   1.96652
 Alpha virt. eigenvalues --    1.97576   1.99632   2.03556   2.04102   2.11161
 Alpha virt. eigenvalues --    2.14035   2.17268   2.18517   2.19265   2.23400
 Alpha virt. eigenvalues --    2.27116   2.27116   2.30194   2.30663   2.35340
 Alpha virt. eigenvalues --    2.37679   2.39749   2.43218   2.46060   2.48581
 Alpha virt. eigenvalues --    2.53626   2.58396   2.58786   2.60362   2.63207
 Alpha virt. eigenvalues --    2.65627   2.85488   2.91188   2.91549   2.98720
 Alpha virt. eigenvalues --    3.00376   3.05067   3.05658   3.10788   3.12748
 Alpha virt. eigenvalues --    3.17013   3.33768   3.40602   3.45981
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    5.181535   0.253283  -0.369413  -0.198819  -0.053134  -0.033280
     2  C    0.253283   6.442310  -0.163464  -0.254582   0.253269  -0.163439
     3  C   -0.369413  -0.163464   6.710727   0.462510  -0.033283  -0.126587
     4  C   -0.198819  -0.254582   0.462510   5.720644  -0.005997  -0.031362
     5  C   -0.053134   0.253269  -0.033283  -0.005997   5.181560  -0.369424
     6  C   -0.033280  -0.163439  -0.126587  -0.031362  -0.369424   6.710717
     7  C   -0.005997  -0.254577  -0.031361  -0.010452  -0.198815   0.462501
     8  H   -0.081443  -0.030541   0.035420  -0.004943   0.067512   0.133070
     9  H    0.045296   0.036286  -0.077824   0.008536   0.181994  -0.005669
    10  H    0.067511  -0.030540   0.133071   0.023183  -0.081444   0.035419
    11  H    0.181988   0.036283  -0.005666   0.009441   0.045298  -0.077823
    12  H    0.032811   0.069886  -0.189524   0.209837   0.007052   0.004672
    13  H   -0.040270  -0.018087   0.023700   0.170380  -0.000576  -0.002549
    14  H   -0.000576  -0.018087  -0.002549  -0.000219  -0.040268   0.023703
    15  H    0.007052   0.069882   0.004671   0.000213   0.032812  -0.189528
               7          8          9         10         11         12
     1  C   -0.005997  -0.081443   0.045296   0.067511   0.181988   0.032811
     2  C   -0.254577  -0.030541   0.036286  -0.030540   0.036283   0.069886
     3  C   -0.031361   0.035420  -0.077824   0.133071  -0.005666  -0.189524
     4  C   -0.010452  -0.004943   0.008536   0.023183   0.009441   0.209837
     5  C   -0.198815   0.067512   0.181994  -0.081444   0.045298   0.007052
     6  C    0.462501   0.133070  -0.005669   0.035419  -0.077823   0.004672
     7  C    5.720644   0.023182   0.009441  -0.004943   0.008536   0.000213
     8  H    0.023182   1.388175  -0.274892   0.037827  -0.004383  -0.001965
     9  H    0.009441  -0.274892   1.361503  -0.004384  -0.001664   0.002671
    10  H   -0.004943   0.037827  -0.004384   1.388182  -0.274896  -0.008569
    11  H    0.008536  -0.004383  -0.001664  -0.274896   1.361517  -0.006137
    12  H    0.000213  -0.001965   0.002671  -0.008569  -0.006137   0.877676
    13  H   -0.000219   0.000531  -0.000418   0.014745   0.007650  -0.063150
    14  H    0.170372   0.014745   0.007650   0.000531  -0.000418  -0.000160
    15  H    0.209845  -0.008569  -0.006137  -0.001965   0.002671   0.000443
              13         14         15
     1  C   -0.040270  -0.000576   0.007052
     2  C   -0.018087  -0.018087   0.069882
     3  C    0.023700  -0.002549   0.004671
     4  C    0.170380  -0.000219   0.000213
     5  C   -0.000576  -0.040268   0.032812
     6  C   -0.002549   0.023703  -0.189528
     7  C   -0.000219   0.170372   0.209845
     8  H    0.000531   0.014745  -0.008569
     9  H   -0.000418   0.007650  -0.006137
    10  H    0.014745   0.000531  -0.001965
    11  H    0.007650  -0.000418   0.002671
    12  H   -0.063150  -0.000160   0.000443
    13  H    0.827229   0.000027  -0.000160
    14  H    0.000027   0.827229  -0.063154
    15  H   -0.000160  -0.063154   0.877684
 Mulliken charges:
               1
     1  C    1.013454
     2  C   -0.227885
     3  C   -0.370429
     4  C   -0.098369
     5  C    1.013443
     6  C   -0.370422
     7  C   -0.098371
     8  H   -0.293727
     9  H   -0.282389
    10  H   -0.293729
    11  H   -0.282396
    12  H    0.064243
    13  H    0.081168
    14  H    0.081173
    15  H    0.064236
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.437329
     2  C   -0.227885
     3  C   -0.370429
     4  C    0.047041
     5  C    0.437326
     6  C   -0.370422
     7  C    0.047039
 Electronic spatial extent (au):  <R**2>=            790.6568
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -0.0000    Y=              0.4727    Z=             -0.0000  Tot=              0.4727
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -42.3125   YY=            -41.9294   ZZ=            -41.6484
   XY=             -0.0000   XZ=              0.8911   YZ=             -0.0000
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -0.3491   YY=              0.0340   ZZ=              0.3150
   XY=             -0.0000   XZ=              0.8911   YZ=             -0.0000
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=              0.0000  YYY=              5.5476  ZZZ=             -0.0001  XYY=             -0.0002
  XXY=             -3.6901  XXZ=             -0.0001  XZZ=              0.0001  YZZ=             -1.3204
  YYZ=              0.0001  XYZ=              4.3643
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=           -680.8576 YYYY=           -225.7859 ZZZZ=           -172.5446 XXXY=              0.0001
 XXXZ=              8.4790 YYYX=              0.0001 YYYZ=             -0.0000 ZZZX=              4.5903
 ZZZY=             -0.0002 XXYY=           -152.4515 XXZZ=           -156.5294 YYZZ=            -66.6717
 XXYZ=              0.0002 YYXZ=             -3.9680 ZZXY=             -0.0002
 N-N= 2.623669224215D+02 E-N=-1.150758205772D+03  KE= 2.679701252620D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Fri Jul 16 13:17:14 2021, MaxMem=  5637144576 cpu:               4.8 elap:               0.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-4.62471630D-06 1.91961644D-01-8.48895690D-07
 Polarizability= 1.09552914D+02-6.86951035D-06 7.64921559D+01
                -3.63271180D+00-1.75299518D-05 6.98519726D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 2      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 3      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 4     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 5      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 6      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        2.1551    2.1554       -0.0000   -0.0000
 2     -2.1551   -2.1554        0.0000    0.0000      -18.5482  -18.5504
 3      0.0000    0.0000       22.2116   22.2154       -0.0000   -0.0000
 4     -0.0000   -0.0000       -0.0000    0.0000        0.0000    0.0000
 5     -3.6634   -3.6650       -0.0000   -0.0000        2.1545    2.1554
 6      0.0000    0.0000       -2.1545   -2.1554       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -6.4662   -6.4662       -0.0000   -0.0000
 2     -0.0000   -0.0000        0.0000    0.0000       -0.0000   -0.0000
 3     -0.0000   -0.0000       -6.4662   -6.4662       -0.0000    0.0000
 4     -6.4662   -6.4662        0.0000    0.0000      -55.6513  -55.6513
 5      0.0000    0.0000       66.6462   66.6462       -0.0000   -0.0000
 6    -10.9949  -10.9949       -0.0000   -0.0000        6.4662    6.4662
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -8.6025   -8.6216       -0.0000    0.0000
 2      8.3944    8.6216       -0.0000   -0.0000       73.9115   74.2017
 3      0.0000   -0.0000      -88.6700  -88.8616        0.0001    0.0000
 4      0.0000    0.0000       -0.0784    0.0000       -0.0000   -0.0000
 5     14.6736   14.6599        0.0000    0.0000       -8.3299   -8.6216
 6     -0.0001   -0.0000        8.6572    8.6216       -0.0000    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       39.9109   39.7620        0.0001    0.0000
 2    -39.5204  -39.7620        0.0007    0.0007      -52.1265  -52.5710
 3     -0.0001   -0.0000      -24.2179  -24.5580       -0.0007   -0.0007
 4     -0.0007   -0.0007       -0.0655    0.0000       -0.0000   -0.0000
 5     77.4811   77.1291        0.0001    0.0000       40.1199   39.7620
 6      0.0007    0.0007      -39.7859  -39.7620       -0.0000    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0021   -0.0022      117.5586  117.5774       -0.0009   -0.0009
 2     -0.0027   -0.0028      130.1737  130.0325       -0.0009   -0.0009
 3     -0.0027   -0.0028      117.6779  117.5774       -0.0011   -0.0012
 4    -12.3257  -12.4551        0.0006    0.0006      -36.2097  -36.5453
 5     -0.0003   -0.0003      -45.6515  -45.7065       -0.0007   -0.0006
 6     82.5103   82.2518        0.0003    0.0003       12.8148   12.4551
 Full mass-weighted force constant matrix:
 Low frequencies ---   -5.2578   -2.8865   -1.2882   -0.0007   -0.0003    0.0003
 Low frequencies ---  103.5098  177.3399  191.7342
 Diagonal vibrational polarizability:
        3.3186450       2.9187434       2.9466550
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --    103.5098               177.3398               191.7342
 Red. masses --      3.2676                 2.6780                 2.5912
 Frc consts  --      0.0206                 0.0496                 0.0561
 IR Inten    --      0.1129                 0.3538                 0.0313
 RamAct Fr= 1--     13.5473                 4.8457                 8.5549
  Dep-P Fr= 1--      0.7362                 0.7500                 0.6354
  Dep-U Fr= 1--      0.8480                 0.8571                 0.7771
 Alpha2 Fr= 1--      0.0032                 0.0000                 0.0178
 Beta2  Fr= 1--      1.9148                 0.6922                 1.1080
 AlphaG Fr= 1--     -0.0041                -0.0000                 0.0122
 Gamma2 Fr= 1--      3.1115                -3.0227                 0.1041
 Delta2 Fr= 1--     -1.3914                 1.1875                 0.4240
 Raman1 Fr= 1--      54.189                 19.383                 34.219
 ROA1   Fr= 1--     254.177               -252.175                 23.563
 CID1   Fr= 1--       4.691                -13.010                  0.689
 Raman2 Fr= 1--      22.977                  8.307                 13.296
 ROA2   Fr= 1--      85.807                -82.043                 -0.893
 CID2   Fr= 1--       3.734                 -9.876                 -0.067
 Raman3 Fr= 1--      45.954                 16.614                 26.591
 ROA3   Fr= 1--     254.177               -252.175                 23.563
 CID3   Fr= 1--       5.531                -15.179                  0.886
 RC180  Fr= 1--       0.696                  0.714                  0.554
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06  -0.11   0.06     0.11   0.12   0.01     0.05   0.05  -0.15
     2   6     0.00  -0.12  -0.00    -0.01  -0.00   0.18     0.00  -0.12  -0.00
     3   6     0.03  -0.04   0.02    -0.00   0.03   0.07     0.06  -0.01  -0.07
     4   6     0.17   0.19  -0.10    -0.10   0.03  -0.12     0.15  -0.01   0.09
     5   6     0.06  -0.11  -0.06     0.11  -0.12   0.01    -0.05   0.05   0.15
     6   6    -0.03  -0.04  -0.02    -0.00  -0.03   0.07    -0.06  -0.01   0.07
     7   6    -0.17   0.19   0.10    -0.10  -0.03  -0.12    -0.15  -0.01  -0.09
     8   1     0.10  -0.09  -0.15     0.06  -0.12  -0.15     0.10   0.09   0.31
     9   1     0.11  -0.19  -0.03     0.27  -0.22   0.05    -0.23   0.15   0.10
    10   1    -0.10  -0.09   0.15     0.06   0.12  -0.15    -0.10   0.09  -0.31
    11   1    -0.11  -0.19   0.03     0.27   0.22   0.05     0.23   0.15  -0.10
    12   1     0.27   0.24  -0.18    -0.32  -0.02  -0.03     0.25  -0.20   0.23
    13   1     0.17   0.32  -0.12     0.00   0.06  -0.39     0.14   0.21   0.11
    14   1    -0.17   0.32   0.12     0.00  -0.06  -0.39    -0.14   0.21  -0.11
    15   1    -0.27   0.24   0.18    -0.32   0.02  -0.03    -0.25  -0.20  -0.23
                      4                      5                      6
                      A                      A                      A
 Frequencies --    320.2068               381.5308               410.9306
 Red. masses --      3.0696                 2.3660                 2.2277
 Frc consts  --      0.1854                 0.2029                 0.2216
 IR Inten    --      3.9930                 0.3955                 1.1010
 RamAct Fr= 1--      1.5567                 4.7761                 1.1211
  Dep-P Fr= 1--      0.7500                 0.6502                 0.7500
  Dep-U Fr= 1--      0.8571                 0.7880                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0086                 0.0000
 Beta2  Fr= 1--      0.2224                 0.6273                 0.1602
 AlphaG Fr= 1--      0.0000                 0.0655                 0.0000
 Gamma2 Fr= 1--     -1.6734                 2.9654                 1.3543
 Delta2 Fr= 1--     -0.6145                -0.1537                 1.5204
 Raman1 Fr= 1--       6.227                 19.104                  4.484
 ROA1   Fr= 1--    -180.305                279.756                178.662
 CID1   Fr= 1--     -28.956                 14.644                 39.843
 Raman2 Fr= 1--       2.669                  7.528                  1.922
 ROA2   Fr= 1--     -35.245                 72.399                 20.340
 CID2   Fr= 1--     -13.207                  9.618                 10.584
 Raman3 Fr= 1--       5.337                 15.055                  3.844
 ROA3   Fr= 1--    -180.305                279.756                178.662
 CID3   Fr= 1--     -33.782                 18.582                 46.483
 RC180  Fr= 1--       0.714                  0.576                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.02   0.05     0.16  -0.08   0.04     0.09  -0.05  -0.02
     2   6     0.03  -0.00  -0.00     0.00   0.18  -0.00    -0.10   0.00   0.14
     3   6     0.11   0.22  -0.12    -0.04  -0.00  -0.08    -0.10   0.01  -0.13
     4   6    -0.07  -0.08   0.03     0.05   0.01   0.05     0.01   0.02   0.05
     5   6    -0.02  -0.02   0.05    -0.16  -0.08  -0.04     0.09   0.05  -0.02
     6   6     0.11  -0.22  -0.12     0.04  -0.00   0.08    -0.10  -0.01  -0.13
     7   6    -0.07   0.08   0.03    -0.05   0.01  -0.05     0.01  -0.02   0.05
     8   1    -0.30  -0.14   0.20    -0.38  -0.14  -0.18    -0.02   0.01  -0.03
     9   1     0.16   0.21   0.02    -0.10  -0.20   0.00     0.40   0.15  -0.01
    10   1    -0.30   0.14   0.20     0.38  -0.14   0.18    -0.02  -0.01  -0.03
    11   1     0.16  -0.21   0.02     0.10  -0.20  -0.00     0.40  -0.15  -0.01
    12   1    -0.26  -0.13   0.13     0.29   0.05  -0.04     0.21  -0.22   0.20
    13   1    -0.07  -0.28   0.02    -0.06   0.03   0.32    -0.01   0.33   0.13
    14   1    -0.07   0.28   0.02     0.06   0.03  -0.32    -0.01  -0.33   0.13
    15   1    -0.26   0.13   0.13    -0.29   0.05   0.04     0.21   0.22   0.20
                      7                      8                      9
                      A                      A                      A
 Frequencies --    477.2842               624.2865               663.4059
 Red. masses --      1.9879                 3.2353                 1.2181
 Frc consts  --      0.2668                 0.7429                 0.3159
 IR Inten    --      5.3481                 0.1609                 0.0141
 RamAct Fr= 1--      3.5042                27.0282                 2.9073
  Dep-P Fr= 1--      0.7273                 0.2050                 0.7500
  Dep-U Fr= 1--      0.8421                 0.3402                 0.8571
 Alpha2 Fr= 1--      0.0014                 0.3622                 0.0000
 Beta2  Fr= 1--      0.4918                 1.5327                 0.4153
 AlphaG Fr= 1--      0.0387                -0.3658                -0.0000
 Gamma2 Fr= 1--      0.9079                -0.4925                -3.3815
 Delta2 Fr= 1--     -0.8909                 0.0513                -0.2680
 Raman1 Fr= 1--      14.017                108.113                 11.629
 ROA1   Fr= 1--      58.649                -45.637               -333.200
 CID1   Fr= 1--       4.184                 -0.422                -28.652
 Raman2 Fr= 1--       5.902                 18.392                  4.984
 ROA2   Fr= 1--      28.917                -12.230                -79.011
 CID2   Fr= 1--       4.900                 -0.665                -15.853
 Raman3 Fr= 1--      11.804                 36.784                  9.968
 ROA3   Fr= 1--      58.649                -45.637               -333.200
 CID3   Fr= 1--       4.969                 -1.241                -33.427
 RC180  Fr= 1--       0.684                 -0.320                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04  -0.04   0.03     0.19   0.00   0.09     0.06  -0.00   0.01
     2   6     0.00  -0.04  -0.00    -0.00  -0.07  -0.00    -0.00   0.00  -0.02
     3   6     0.06   0.14  -0.12     0.16   0.05   0.15    -0.03   0.04  -0.02
     4   6    -0.01  -0.03   0.02     0.05  -0.01   0.01    -0.04   0.03   0.02
     5   6     0.04  -0.04  -0.03    -0.19   0.00  -0.09     0.06   0.00   0.01
     6   6    -0.06   0.14   0.12    -0.16   0.05  -0.15    -0.03  -0.04  -0.02
     7   6     0.01  -0.03  -0.02    -0.05  -0.01  -0.01    -0.04  -0.03   0.02
     8   1     0.25   0.08  -0.35    -0.16   0.02  -0.10     0.12   0.05  -0.17
     9   1    -0.03  -0.40   0.05    -0.29  -0.00  -0.10     0.11  -0.16   0.06
    10   1    -0.25   0.08   0.35     0.16   0.02   0.10     0.12  -0.05  -0.17
    11   1     0.03  -0.40  -0.05     0.29  -0.00   0.10     0.11   0.16   0.06
    12   1    -0.10  -0.22   0.20    -0.31   0.01   0.09     0.10   0.32  -0.26
    13   1     0.02   0.02  -0.06     0.19  -0.14  -0.33    -0.18  -0.27   0.35
    14   1    -0.02   0.02   0.06    -0.19  -0.14   0.33    -0.18   0.27   0.35
    15   1     0.10  -0.22  -0.20     0.31   0.01  -0.09     0.10  -0.32  -0.26
                     10                     11                     12
                      A                      A                      A
 Frequencies --    695.2540               748.3975               809.3384
 Red. masses --      1.6937                 2.2081                 1.8702
 Frc consts  --      0.4824                 0.7287                 0.7218
 IR Inten    --      0.2411                 4.5576                 2.5587
 RamAct Fr= 1--      7.6524                19.3389                14.3183
  Dep-P Fr= 1--      0.3906                 0.7500                 0.4866
  Dep-U Fr= 1--      0.5617                 0.8571                 0.6547
 Alpha2 Fr= 1--      0.0586                 0.0000                 0.0752
 Beta2  Fr= 1--      0.7165                 2.7627                 1.5623
 AlphaG Fr= 1--      0.4916                -0.0000                -0.9705
 Gamma2 Fr= 1--     -2.0272                 7.2374                -6.5187
 Delta2 Fr= 1--     -2.1928                -3.6084                 5.8374
 Raman1 Fr= 1--      30.610                 77.356                 57.273
 ROA1   Fr= 1--    -264.779                579.324               -439.001
 CID1   Fr= 1--      -8.650                  7.489                 -7.665
 Raman2 Fr= 1--       8.597                 33.152                 18.748
 ROA2   Fr= 1--     -31.110                202.566               -203.148
 CID2   Fr= 1--      -3.618                  6.110                -10.836
 Raman3 Fr= 1--      17.195                 66.305                 37.495
 ROA3   Fr= 1--    -264.779                579.324               -439.001
 CID3   Fr= 1--     -15.399                  8.737                -11.708
 RC180  Fr= 1--       0.123                  0.714                  0.309
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05  -0.02   0.02    -0.12   0.01   0.03    -0.04   0.05  -0.01
     2   6    -0.00  -0.06  -0.00    -0.02  -0.00   0.18     0.00   0.19   0.00
     3   6    -0.11  -0.03   0.03     0.04  -0.06  -0.04     0.03  -0.07   0.01
     4   6    -0.09   0.06   0.03     0.09  -0.08  -0.05     0.08  -0.07  -0.04
     5   6    -0.05  -0.02  -0.02    -0.12  -0.01   0.03     0.04   0.05   0.01
     6   6     0.11  -0.03  -0.03     0.04   0.06  -0.04    -0.03  -0.07  -0.01
     7   6     0.09   0.06  -0.03     0.09   0.08  -0.05    -0.08  -0.07   0.04
     8   1     0.01  -0.00  -0.01    -0.36  -0.05  -0.28    -0.17   0.01  -0.19
     9   1    -0.15  -0.08  -0.01     0.19  -0.26   0.13     0.29  -0.01   0.05
    10   1    -0.01  -0.00   0.01    -0.36   0.05  -0.28     0.17   0.01   0.19
    11   1     0.15  -0.08   0.01     0.19   0.26   0.13    -0.29  -0.01  -0.05
    12   1    -0.09  -0.24   0.29     0.20   0.02  -0.17     0.02  -0.31   0.18
    13   1     0.01   0.50  -0.20     0.04  -0.20   0.08     0.20   0.20  -0.32
    14   1    -0.01   0.50   0.20     0.04   0.20   0.08    -0.20   0.20   0.32
    15   1     0.09  -0.24  -0.29     0.20  -0.02  -0.17    -0.02  -0.31  -0.18
                     13                     14                     15
                      A                      A                      A
 Frequencies --    886.0447               914.6412               915.3032
 Red. masses --      2.1963                 1.3154                 1.3121
 Frc consts  --      1.0159                 0.6483                 0.6477
 IR Inten    --     38.0224                43.4456                40.7301
 RamAct Fr= 1--      5.1873                 3.2932                12.4077
  Dep-P Fr= 1--      0.7500                 0.7500                 0.7463
  Dep-U Fr= 1--      0.8571                 0.8571                 0.8547
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0008
 Beta2  Fr= 1--      0.7410                 0.4705                 1.7675
 AlphaG Fr= 1--      0.0000                 0.0000                 0.0287
 Gamma2 Fr= 1--      1.2302                 0.8502                 1.9245
 Delta2 Fr= 1--      0.5357                 0.2778                -1.5526
 Raman1 Fr= 1--      20.749                 13.173                 49.631
 ROA1   Fr= 1--     135.240                 90.506                135.068
 CID1   Fr= 1--       6.518                  6.871                  2.721
 Raman2 Fr= 1--       8.893                  5.646                 21.210
 ROA2   Fr= 1--      25.238                 18.181                 58.608
 CID2   Fr= 1--       2.838                  3.220                  2.763
 Raman3 Fr= 1--      17.785                 11.291                 42.421
 ROA3   Fr= 1--     135.240                 90.506                135.068
 CID3   Fr= 1--       7.604                  8.016                  3.184
 RC180  Fr= 1--       0.714                  0.714                  0.709
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.16  -0.09     0.00   0.01  -0.01     0.00   0.01  -0.00
     2   6    -0.10   0.00  -0.02    -0.00   0.00   0.00     0.00  -0.00  -0.00
     3   6     0.05   0.03   0.08     0.01   0.02  -0.02     0.01   0.02  -0.02
     4   6     0.01   0.05   0.05    -0.03  -0.08   0.08    -0.03  -0.08   0.07
     5   6    -0.01   0.16  -0.09     0.00  -0.01  -0.01    -0.00   0.01   0.00
     6   6     0.05  -0.03   0.08     0.01  -0.02  -0.02    -0.01   0.02   0.02
     7   6     0.01  -0.05   0.05    -0.03   0.08   0.08     0.03  -0.08  -0.07
     8   1    -0.21   0.13  -0.36    -0.03  -0.02   0.02     0.04   0.03  -0.03
     9   1     0.29  -0.01  -0.01     0.02   0.03  -0.02    -0.03  -0.03   0.01
    10   1    -0.21  -0.13  -0.36    -0.03   0.02   0.02    -0.04   0.03   0.03
    11   1     0.29   0.01  -0.01     0.02  -0.03  -0.02     0.03  -0.03  -0.01
    12   1    -0.30   0.12   0.08     0.14   0.37  -0.34     0.15   0.36  -0.34
    13   1     0.11  -0.11  -0.19     0.12   0.32  -0.30     0.12   0.32  -0.30
    14   1     0.11   0.11  -0.19     0.12  -0.32  -0.30    -0.12   0.32   0.30
    15   1    -0.30  -0.12   0.08     0.14  -0.37  -0.34    -0.15   0.36   0.35
                     16                     17                     18
                      A                      A                      A
 Frequencies --    949.9981              1002.4155              1025.8397
 Red. masses --      2.1793                 1.4787                 1.2819
 Frc consts  --      1.1588                 0.8755                 0.7948
 IR Inten    --      2.8694                 1.6759                 2.0820
 RamAct Fr= 1--     48.5100                 1.8260                 2.0182
  Dep-P Fr= 1--      0.0152                 0.7500                 0.7500
  Dep-U Fr= 1--      0.0299                 0.8571                 0.8571
 Alpha2 Fr= 1--      1.0404                 0.0000                 0.0000
 Beta2  Fr= 1--      0.2416                 0.2609                 0.2883
 AlphaG Fr= 1--      0.8129                 0.0000                -0.0000
 Gamma2 Fr= 1--      1.2858                 3.8835                 1.6188
 Delta2 Fr= 1--      1.5962                -1.6795                -0.8695
 Raman1 Fr= 1--     194.040                  7.304                  8.073
 ROA1   Fr= 1--     174.517                319.077                127.581
 CID1   Fr= 1--       0.899                 43.685                 15.804
 Raman2 Fr= 1--       2.899                  3.130                  3.460
 ROA2   Fr= 1--      18.089                106.641                 45.807
 CID2   Fr= 1--       6.240                 34.067                 13.240
 Raman3 Fr= 1--       5.798                  6.261                  6.919
 ROA3   Fr= 1--     174.517                319.077                127.581
 CID3   Fr= 1--      30.099                 50.966                 18.438
 RC180  Fr= 1--      -0.940                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04   0.09   0.17    -0.01   0.06  -0.09    -0.09   0.02   0.02
     2   6    -0.00  -0.04  -0.00    -0.06  -0.00   0.09    -0.00  -0.00   0.02
     3   6    -0.02  -0.03  -0.04    -0.00  -0.03   0.03     0.00   0.03  -0.04
     4   6     0.02  -0.07  -0.08     0.03   0.01   0.01     0.02  -0.00   0.02
     5   6    -0.04   0.09  -0.17    -0.01  -0.06  -0.09    -0.09  -0.02   0.02
     6   6     0.02  -0.03   0.04    -0.00   0.03   0.03     0.00  -0.03  -0.04
     7   6    -0.02  -0.07   0.08     0.03  -0.01   0.01     0.02   0.00   0.02
     8   1     0.33   0.21  -0.04     0.02  -0.11   0.33     0.59   0.24  -0.05
     9   1    -0.12   0.21  -0.21     0.14   0.41  -0.20     0.21  -0.01   0.05
    10   1    -0.33   0.21   0.04     0.02   0.11   0.33     0.59  -0.24  -0.05
    11   1     0.12   0.21   0.21     0.14  -0.41  -0.20     0.21   0.01   0.05
    12   1     0.34  -0.17  -0.08    -0.04   0.18  -0.12    -0.09  -0.00   0.04
    13   1    -0.07   0.08   0.17     0.00  -0.28   0.07     0.08  -0.06  -0.12
    14   1     0.07   0.08  -0.17     0.00   0.28   0.07     0.08   0.06  -0.12
    15   1    -0.34  -0.17   0.08    -0.04  -0.18  -0.12    -0.09   0.00   0.04
                     19                     20                     21
                      A                      A                      A
 Frequencies --   1035.6499              1058.7392              1075.3287
 Red. masses --      1.4966                 1.3384                 1.6179
 Frc consts  --      0.9458                 0.8839                 1.1023
 IR Inten    --      0.8896                 0.1480                 4.0492
 RamAct Fr= 1--      0.2843                 8.1668                 0.1089
  Dep-P Fr= 1--      0.4034                 0.5300                 0.7500
  Dep-U Fr= 1--      0.5749                 0.6928                 0.8571
 Alpha2 Fr= 1--      0.0021                 0.0348                 0.0000
 Beta2  Fr= 1--      0.0272                 0.9430                 0.0156
 AlphaG Fr= 1--     -0.0831                 0.4146                 0.0000
 Gamma2 Fr= 1--      0.6684                 2.0672                 0.9265
 Delta2 Fr= 1--      0.0826                 3.5279                 0.1843
 Raman1 Fr= 1--       1.137                 32.667                  0.436
 ROA1   Fr= 1--      66.806                311.342                 94.837
 CID1   Fr= 1--      58.747                  9.531                217.734
 Raman2 Fr= 1--       0.327                 11.316                  0.187
 ROA2   Fr= 1--      15.380                 21.389                 20.760
 CID2   Fr= 1--      47.048                  1.890                111.215
 Raman3 Fr= 1--       0.654                 22.632                  0.373
 ROA3   Fr= 1--      66.806                311.342                 94.837
 CID3   Fr= 1--     102.184                 13.757                254.023
 RC180  Fr= 1--       0.150                  0.386                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.08   0.07    -0.11   0.01   0.03    -0.05   0.04   0.03
     2   6    -0.00  -0.00   0.00     0.00   0.06  -0.00     0.09  -0.00  -0.16
     3   6     0.03   0.07  -0.07    -0.00  -0.01   0.00    -0.01  -0.04   0.06
     4   6    -0.00  -0.01   0.01     0.02  -0.01  -0.01    -0.03   0.00  -0.02
     5   6     0.03  -0.08  -0.07     0.11   0.01  -0.03    -0.05  -0.04   0.03
     6   6    -0.03   0.07   0.07     0.00  -0.01  -0.00    -0.01   0.04   0.06
     7   6     0.00  -0.01  -0.01    -0.02  -0.01   0.01    -0.03  -0.00  -0.02
     8   1    -0.20  -0.23   0.35    -0.18  -0.11   0.10    -0.12  -0.06  -0.01
     9   1     0.16   0.40  -0.18    -0.64  -0.12  -0.08     0.61   0.18   0.06
    10   1     0.20  -0.23  -0.35     0.18  -0.11  -0.10    -0.12   0.06  -0.01
    11   1    -0.16   0.40   0.18     0.64  -0.12   0.08     0.61  -0.18   0.06
    12   1    -0.04  -0.09   0.08     0.02  -0.02  -0.00     0.11  -0.06  -0.01
    13   1     0.04   0.11  -0.10     0.03  -0.03  -0.04    -0.07   0.14   0.08
    14   1    -0.04   0.11   0.10    -0.03  -0.03   0.04    -0.07  -0.14   0.08
    15   1     0.04  -0.09  -0.08    -0.02  -0.02   0.00     0.11   0.06  -0.01
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1091.3070              1128.8599              1156.0010
 Red. masses --      1.5642                 2.0981                 2.4078
 Frc consts  --      1.0976                 1.5753                 1.8958
 IR Inten    --      1.8937                28.2433                 7.3787
 RamAct Fr= 1--      0.9686                 0.8185                 2.7918
  Dep-P Fr= 1--      0.3655                 0.7500                 0.2841
  Dep-U Fr= 1--      0.5353                 0.8571                 0.4425
 Alpha2 Fr= 1--      0.0081                 0.0000                 0.0300
 Beta2  Fr= 1--      0.0864                 0.1169                 0.2059
 AlphaG Fr= 1--      0.1735                 0.0000                 0.3210
 Gamma2 Fr= 1--     -1.6201                -1.0401                -2.1213
 Delta2 Fr= 1--      0.7517                -0.4449                -0.9249
 Raman1 Fr= 1--       3.875                  3.274                 11.167
 ROA1   Fr= 1--    -131.477               -114.088               -233.238
 CID1   Fr= 1--     -33.933                -34.845                -20.886
 Raman2 Fr= 1--       1.037                  1.403                  2.471
 ROA2   Fr= 1--     -44.896                -21.403                -43.512
 CID2   Fr= 1--     -43.294                -15.253                -17.609
 Raman3 Fr= 1--       2.074                  2.806                  4.942
 ROA3   Fr= 1--    -131.477               -114.088               -233.238
 CID3   Fr= 1--     -63.392                -40.652                -47.196
 RC180  Fr= 1--       0.071                  0.714                 -0.115
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.07   0.01    -0.04  -0.04  -0.08    -0.00  -0.10  -0.07
     2   6     0.00   0.16   0.00    -0.04   0.00   0.09    -0.00   0.12   0.00
     3   6    -0.04  -0.03  -0.02     0.11   0.07   0.09     0.11   0.05   0.12
     4   6     0.04   0.02   0.03    -0.08  -0.03  -0.06    -0.08  -0.03  -0.06
     5   6    -0.03  -0.07  -0.01    -0.04   0.04  -0.08     0.00  -0.10   0.07
     6   6     0.04  -0.03   0.02     0.11  -0.07   0.09    -0.11   0.05  -0.12
     7   6    -0.04   0.02  -0.03    -0.08   0.03  -0.06     0.08  -0.03   0.06
     8   1     0.54   0.10   0.18     0.19   0.12  -0.01     0.26  -0.01   0.12
     9   1    -0.11   0.09  -0.06    -0.07   0.05  -0.08    -0.08   0.01   0.03
    10   1    -0.54   0.10  -0.18     0.19  -0.12  -0.01    -0.26  -0.01  -0.12
    11   1     0.11   0.09   0.06    -0.07  -0.05  -0.08     0.08   0.01  -0.03
    12   1    -0.21   0.09   0.04     0.38  -0.17  -0.06     0.34  -0.19  -0.03
    13   1     0.12  -0.15  -0.17    -0.20   0.29   0.29    -0.18   0.33   0.23
    14   1    -0.12  -0.15   0.17    -0.20  -0.29   0.29     0.18   0.33  -0.23
    15   1     0.21   0.09  -0.04     0.38   0.17  -0.06    -0.34  -0.19   0.03
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1309.2214              1444.3783              1445.4673
 Red. masses --      3.4845                 1.0925                 1.0902
 Frc consts  --      3.5190                 1.3429                 1.3421
 IR Inten    --     25.2821                 0.8215                 2.2876
 RamAct Fr= 1--      7.4870                30.4065                13.2814
  Dep-P Fr= 1--      0.7500                 0.5604                 0.7500
  Dep-U Fr= 1--      0.8571                 0.7183                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.1095                 0.0000
 Beta2  Fr= 1--      1.0696                 3.6399                 1.8973
 AlphaG Fr= 1--      0.0000                -0.1039                -0.0000
 Gamma2 Fr= 1--     -1.4984                -8.8420                 5.6520
 Delta2 Fr= 1--     -2.7300                 2.9840                 0.0116
 Raman1 Fr= 1--      29.948                121.626                 53.126
 ROA1   Fr= 1--    -231.203               -753.345                542.965
 CID1   Fr= 1--      -7.720                 -6.194                 10.220
 Raman2 Fr= 1--      12.835                 43.679                 22.768
 ROA2   Fr= 1--     -14.121               -236.080                135.555
 CID2   Fr= 1--      -1.100                 -5.405                  5.954
 Raman3 Fr= 1--      25.670                 87.358                 45.536
 ROA3   Fr= 1--    -231.203               -753.345                542.965
 CID3   Fr= 1--      -9.007                 -8.624                 11.924
 RC180  Fr= 1--       0.714                  0.437                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06  -0.03  -0.06    -0.02  -0.02  -0.03    -0.01  -0.03  -0.04
     2   6     0.37  -0.00   0.17    -0.00   0.00  -0.00    -0.01  -0.00  -0.01
     3   6     0.01  -0.07  -0.07     0.02  -0.03  -0.02     0.01  -0.02  -0.01
     4   6    -0.07   0.07   0.05     0.01  -0.01  -0.00     0.01  -0.01  -0.00
     5   6    -0.06   0.03  -0.06     0.02  -0.02   0.03    -0.01   0.03  -0.04
     6   6     0.01   0.07  -0.07    -0.02  -0.03   0.02     0.01   0.02  -0.01
     7   6    -0.07  -0.07   0.05    -0.01  -0.01   0.00     0.01   0.01  -0.00
     8   1    -0.08   0.06  -0.19    -0.02   0.04  -0.38     0.01  -0.05   0.45
     9   1    -0.10   0.15  -0.11    -0.13   0.35  -0.10     0.15  -0.42   0.11
    10   1    -0.08  -0.06  -0.19     0.02   0.04   0.38     0.01   0.05   0.45
    11   1    -0.10  -0.15  -0.11     0.13   0.35   0.10     0.15   0.42   0.11
    12   1    -0.38   0.19   0.05    -0.31   0.11  -0.01    -0.19   0.07  -0.01
    13   1    -0.15   0.24   0.19    -0.07   0.22   0.21    -0.05   0.14   0.13
    14   1    -0.15  -0.24   0.19     0.07   0.22  -0.21    -0.05  -0.14   0.13
    15   1    -0.38  -0.19   0.05     0.31   0.11   0.01    -0.19  -0.07  -0.01
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1471.7454              1489.5646              1805.3585
 Red. masses --      1.1512                 1.3790                 8.6900
 Frc consts  --      1.4691                 1.8028                16.6878
 IR Inten    --      0.4636                 3.9821                 9.4961
 RamAct Fr= 1--     11.7981                19.6817               182.1752
  Dep-P Fr= 1--      0.0937                 0.7500                 0.1138
  Dep-U Fr= 1--      0.1714                 0.8571                 0.2044
 Alpha2 Fr= 1--      0.2098                 0.0000                 3.0830
 Beta2  Fr= 1--      0.3369                 2.8117                 6.2060
 AlphaG Fr= 1--      0.0926                -0.0000                 1.5587
 Gamma2 Fr= 1--      0.4214                -0.6504               -16.9095
 Delta2 Fr= 1--      0.4808                -5.1897                 8.7785
 Raman1 Fr= 1--      47.192                 78.727                728.701
 ROA1   Fr= 1--      55.843               -228.511              -1342.395
 CID1   Fr= 1--       1.183                 -2.903                 -1.842
 Raman2 Fr= 1--       4.043                 33.740                 74.472
 ROA2   Fr= 1--       6.267                 25.907               -476.055
 CID2   Fr= 1--       1.550                  0.768                 -6.392
 Raman3 Fr= 1--       8.087                 67.480                148.944
 ROA3   Fr= 1--      55.843               -228.511              -1342.395
 CID3   Fr= 1--       6.905                 -3.386                 -9.013
 RC180  Fr= 1--      -0.657                  0.714                 -0.591
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.03  -0.04    -0.01  -0.04  -0.04    -0.01   0.06   0.06
     2   6     0.00  -0.02   0.00     0.10  -0.00   0.03    -0.00   0.06  -0.00
     3   6    -0.03   0.02   0.01    -0.03   0.01   0.00     0.34  -0.29  -0.18
     4   6    -0.03   0.03   0.02    -0.06   0.05   0.03    -0.23   0.20   0.12
     5   6     0.00  -0.03   0.04    -0.01   0.04  -0.04     0.01   0.06  -0.06
     6   6     0.03   0.02  -0.01    -0.03  -0.01   0.00    -0.34  -0.29   0.18
     7   6     0.03   0.03  -0.02    -0.06  -0.05   0.03     0.23   0.20  -0.12
     8   1    -0.01   0.02  -0.32    -0.03  -0.01   0.18     0.02   0.05   0.04
     9   1    -0.09   0.30  -0.07     0.05  -0.18   0.03     0.03  -0.03  -0.04
    10   1     0.01   0.02   0.32    -0.03   0.01   0.18    -0.02   0.05  -0.04
    11   1     0.09   0.30   0.07     0.05   0.18   0.03    -0.03  -0.03   0.04
    12   1     0.36  -0.11   0.02     0.43  -0.13   0.04     0.20   0.07   0.16
    13   1     0.08  -0.28  -0.26     0.08  -0.32  -0.32    -0.16  -0.10  -0.18
    14   1    -0.08  -0.28   0.26     0.08   0.32  -0.32     0.16  -0.10   0.18
    15   1    -0.36  -0.11  -0.02     0.43   0.13   0.04    -0.20   0.07  -0.16
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1848.5134              3093.6953              3094.2841
 Red. masses --      9.4405                 1.0511                 1.0513
 Frc consts  --     19.0061                 5.9271                 5.9308
 IR Inten    --     51.9886                13.4649                18.2833
 RamAct Fr= 1--     58.8034               418.2798                34.5129
  Dep-P Fr= 1--      0.7500                 0.0304                 0.7499
  Dep-U Fr= 1--      0.8571                 0.0590                 0.8571
 Alpha2 Fr= 1--      0.0000                 8.6548                 0.0000
 Beta2  Fr= 1--      8.4005                 4.1166                 4.9302
 AlphaG Fr= 1--      0.0000                 1.5102                 0.0000
 Gamma2 Fr= 1--     14.9959               -21.2923                28.8150
 Delta2 Fr= 1--    -14.9336                -2.0047               -10.3502
 Raman1 Fr= 1--     235.214               1673.119                138.051
 ROA1   Fr= 1--     961.735              -2108.209               2435.030
 CID1   Fr= 1--       4.089                 -1.260                 17.639
 Raman2 Fr= 1--     100.806                 49.399                 59.162
 ROA2   Fr= 1--     479.372               -494.977                774.360
 CID2   Fr= 1--       4.755                -10.020                 13.089
 Raman3 Fr= 1--     201.612                 98.797                118.325
 ROA3   Fr= 1--     961.735              -2108.209               2435.030
 CID3   Fr= 1--       4.770                -21.339                 20.579
 RC180  Fr= 1--       0.714                 -0.882                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.08   0.08    -0.01  -0.03  -0.03    -0.01  -0.03  -0.03
     2   6    -0.28   0.00  -0.05    -0.00  -0.00  -0.00     0.00  -0.00   0.00
     3   6     0.35  -0.30  -0.18    -0.00   0.00   0.00    -0.00   0.00   0.00
     4   6    -0.21   0.19   0.11     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     5   6    -0.00  -0.08   0.08     0.01  -0.03   0.03    -0.01   0.03  -0.03
     6   6     0.35   0.30  -0.18     0.00   0.00  -0.00    -0.00  -0.00   0.00
     7   6    -0.21  -0.19   0.11    -0.00  -0.00   0.00     0.00   0.00  -0.00
     8   1     0.04  -0.06   0.00    -0.17   0.47   0.09     0.17  -0.47  -0.09
     9   1    -0.01   0.02   0.07     0.06  -0.14  -0.46    -0.06   0.14   0.46
    10   1     0.04   0.06   0.00     0.17   0.47  -0.09     0.17   0.47  -0.09
    11   1    -0.01  -0.02   0.07    -0.06  -0.14   0.46    -0.06  -0.14   0.47
    12   1     0.16   0.09   0.15     0.00   0.01   0.01     0.00   0.01   0.01
    13   1    -0.15  -0.09  -0.15    -0.01  -0.00  -0.00    -0.01  -0.00  -0.01
    14   1    -0.15   0.09  -0.15     0.01  -0.00   0.00    -0.01   0.00  -0.01
    15   1     0.16  -0.09   0.15    -0.00   0.01  -0.01     0.00  -0.01   0.01
                     34                     35                     36
                      A                      A                      A
 Frequencies --   3132.6092              3132.8525              3171.9668
 Red. masses --      1.0573                 1.0573                 1.1170
 Frc consts  --      6.1129                 6.1138                 6.6213
 IR Inten    --     16.8296                 5.4329                 5.3986
 RamAct Fr= 1--     54.9905               360.9498               173.0263
  Dep-P Fr= 1--      0.7498                 0.0423                 0.7466
  Dep-U Fr= 1--      0.8570                 0.0812                 0.8549
 Alpha2 Fr= 1--      0.0002                 7.2615                 0.0099
 Beta2  Fr= 1--      7.8544                 4.8830                24.6545
 AlphaG Fr= 1--     -0.0001                -2.1992                -0.2404
 Gamma2 Fr= 1--    -12.3412                11.0831                -7.7737
 Delta2 Fr= 1--     -8.9496                 1.1334                 0.8644
 Raman1 Fr= 1--     219.962               1443.799                692.105
 ROA1   Fr= 1--   -1471.143               1100.248               -718.610
 CID1   Fr= 1--      -6.688                  0.762                 -1.038
 Raman2 Fr= 1--      94.253                 58.595                295.855
 ROA2   Fr= 1--    -224.592                256.928               -193.483
 CID2   Fr= 1--      -2.383                  4.385                 -0.654
 Raman3 Fr= 1--     188.507                117.191                591.709
 ROA3   Fr= 1--   -1471.143               1100.248               -718.610
 CID3   Fr= 1--      -7.804                  9.389                 -1.214
 RC180  Fr= 1--       0.714                 -0.838                  0.710
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.02  -0.05   0.05
     2   6     0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     3   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
     4   6    -0.03   0.03   0.02    -0.03   0.03   0.02     0.00   0.00   0.00
     5   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.02  -0.05  -0.05
     6   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
     7   6    -0.03  -0.03   0.02     0.03   0.03  -0.02    -0.00   0.00  -0.00
     8   1     0.00  -0.01  -0.00    -0.00   0.01   0.00    -0.16   0.45   0.07
     9   1    -0.00   0.00   0.02     0.00  -0.00  -0.01    -0.06   0.13   0.49
    10   1     0.00   0.01  -0.00     0.00   0.01  -0.00     0.16   0.45  -0.07
    11   1    -0.00  -0.00   0.02    -0.00  -0.00   0.01     0.06   0.13  -0.49
    12   1    -0.11  -0.31  -0.38    -0.11  -0.31  -0.38    -0.00  -0.00   0.00
    13   1     0.46  -0.00   0.19     0.46  -0.00   0.19    -0.00   0.00  -0.00
    14   1     0.46   0.00   0.19    -0.46  -0.00  -0.19     0.00   0.00   0.00
    15   1    -0.11   0.31  -0.38     0.11  -0.31   0.38     0.00  -0.00  -0.00
                     37                     38                     39
                      A                      A                      A
 Frequencies --   3172.8859              3212.6937              3212.7775
 Red. masses --      1.1156                 1.1164                 1.1164
 Frc consts  --      6.6173                 6.7893                 6.7896
 IR Inten    --      5.4492                12.7560                 1.7202
 RamAct Fr= 1--     27.9744                49.7329               214.8694
  Dep-P Fr= 1--      0.7500                 0.7500                 0.7100
  Dep-U Fr= 1--      0.8571                 0.8571                 0.8304
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.1491
 Beta2  Fr= 1--      3.9963                 7.1045                29.7372
 AlphaG Fr= 1--     -0.0000                 0.0001                 0.5280
 Gamma2 Fr= 1--     30.0796               -21.8281                14.9798
 Delta2 Fr= 1--      8.1273                 4.5714                 4.9065
 Raman1 Fr= 1--     111.898                198.931                859.478
 ROA1   Fr= 1--    3147.718              -1949.213               1595.067
 CID1   Fr= 1--      28.130                 -9.798                  1.856
 Raman2 Fr= 1--      47.956                 85.254                356.847
 ROA2   Fr= 1--     656.892               -560.446                320.262
 CID2   Fr= 1--      13.698                 -6.574                  0.897
 Raman3 Fr= 1--      95.912                170.508                713.693
 ROA3   Fr= 1--    3147.718              -1949.213               1595.067
 CID3   Fr= 1--      32.819                -11.432                  2.235
 RC180  Fr= 1--       0.714                  0.714                  0.661
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.05  -0.05    -0.00   0.00   0.00    -0.00   0.00   0.00
     2   6     0.00   0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
     3   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     4   6     0.00  -0.00   0.00    -0.05  -0.02  -0.05    -0.05  -0.03  -0.05
     5   6     0.02  -0.05  -0.05    -0.00  -0.00   0.00     0.00   0.00  -0.00
     6   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     7   6     0.00   0.00   0.00    -0.05   0.03  -0.05     0.05  -0.02   0.05
     8   1    -0.16   0.45   0.07    -0.00   0.00   0.00     0.00  -0.00  -0.00
     9   1    -0.06   0.13   0.49     0.00  -0.00  -0.00    -0.00   0.00   0.00
    10   1    -0.16  -0.46   0.07    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    11   1    -0.06  -0.13   0.49     0.00   0.00  -0.00     0.00   0.00  -0.00
    12   1     0.00   0.00  -0.00     0.10   0.31   0.37     0.10   0.32   0.38
    13   1    -0.00  -0.00  -0.00     0.46  -0.01   0.18     0.47  -0.01   0.18
    14   1    -0.00   0.00  -0.00     0.47   0.01   0.18    -0.46  -0.01  -0.18
    15   1     0.00  -0.00  -0.00     0.10  -0.31   0.38    -0.10   0.31  -0.37

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Molecular mass:    92.06260 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   360.58436 960.890031017.99593
           X            1.00000  -0.00000   0.00102
           Y            0.00000   1.00000  -0.00000
           Z           -0.00102   0.00000   1.00000
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Rotational temperatures (Kelvin)      0.24020     0.09014     0.08508
 Rotational constants (GHZ):           5.00505     1.87820     1.77284
 Zero-point vibrational energy     322282.1 (Joules/Mol)
                                   77.02727 (Kcal/Mol)
 Warning -- explicit consideration of   7 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    148.93   255.15   275.86   460.71   548.94
          (Kelvin)            591.24   686.71   898.21   954.49  1000.32
                             1076.78  1164.46  1274.82  1315.96  1316.92
                             1366.84  1442.25  1475.95  1490.07  1523.29
                             1547.16  1570.15  1624.18  1663.23  1883.68
                             2078.14  2079.71  2117.51  2143.15  2597.51
                             2659.60  4451.14  4451.98  4507.13  4507.48
                             4563.75  4565.08  4622.35  4622.47
 
 Zero-point correction=                           0.122751 (Hartree/Particle)
 Thermal correction to Energy=                    0.129773
 Thermal correction to Enthalpy=                  0.130717
 Thermal correction to Gibbs Free Energy=         0.092005
 Sum of electronic and zero-point Energies=           -271.411651
 Sum of electronic and thermal Energies=              -271.404629
 Sum of electronic and thermal Enthalpies=            -271.403685
 Sum of electronic and thermal Free Energies=         -271.442398
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                   81.434             26.525             81.477
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             39.471
 Rotational               0.889              2.981             27.358
 Vibrational             79.656             20.563             14.647
 Vibration     1          0.605              1.946              3.387
 Vibration     2          0.628              1.870              2.356
 Vibration     3          0.634              1.851              2.211
 Vibration     4          0.706              1.635              1.309
 Vibration     5          0.751              1.510              1.033
 Vibration     6          0.775              1.446              0.923
 Vibration     7          0.834              1.300              0.717
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.479622D-42        -42.319101        -97.443331
 Total V=0       0.138766D+15         14.142284         32.563813
 Vib (Bot)       0.649772D-55        -55.187239       -127.073313
 Vib (Bot)    1  0.198132D+01          0.296954          0.683763
 Vib (Bot)    2  0.113361D+01          0.054462          0.125404
 Vib (Bot)    3  0.104318D+01          0.018360          0.042274
 Vib (Bot)    4  0.586993D+00         -0.231367         -0.532743
 Vib (Bot)    5  0.473387D+00         -0.324784         -0.747843
 Vib (Bot)    6  0.430240D+00         -0.366289         -0.843413
 Vib (Bot)    7  0.351228D+00         -0.454411         -1.046321
 Vib (V=0)       0.187995D+02          1.274146          2.933831
 Vib (V=0)    1  0.254343D+01          0.405421          0.933515
 Vib (V=0)    2  0.173898D+01          0.240294          0.553297
 Vib (V=0)    3  0.165682D+01          0.219275          0.504898
 Vib (V=0)    4  0.127108D+01          0.104172          0.239865
 Vib (V=0)    5  0.118855D+01          0.075016          0.172730
 Vib (V=0)    6  0.115963D+01          0.064318          0.148097
 Vib (V=0)    7  0.111103D+01          0.045727          0.105290
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.347199D+08          7.540579         17.362824
 Rotational      0.212598D+06          5.327559         12.267158
 
                                                          ROA calculations.
                                                             IR Spectrum
 
   33333333                                                1 1          1111     1    11111111                                       
   22111100                                                8 8          4444     3    110000009998   8 7 66 6     4 43  3   11  1    
   11773399                                                4 0          9744     0    529753205118   0 4 96 2     7 18  2   97  0    
   33323344                                                9 5          0254     9    691596620556   9 8 53 4     7 12  0   27  4    
 
   XXXXXXXX                                                X X          XXXX     X    XXXXXXXXXXXX   X X X  X     X XX  X    X  X    
    XXXXXXX                                                X X          X        X    XX X     XXX     X          X     X            
    X   XXX                                                X X                   X    XX       XXX                                   
    X   XXX                                                X X                   X     X       XXX                                   
    X   XXX                                                X                     X     X       XXX                                   
        XX                                                 X                     X     X       XXX                                   
         X                                                 X                     X     X       XXX                                   
                                                           X                     X     X       XXX                                   
                                                           X                     X     X       XXX                                   
                                                           X                     X     X       XXX                                   
                                                           X                           X       XXX                                   
                                                           X                                   XXX                                   
                                                           X                                   XXX                                   
                                                           X                                   XXX                                   
                                                           X                                   XXX                                   
                                                           X                                   XX                                    
                                                           X                                    X                                    
                                                           X                                                                         
                                                           X                                                                         
                                                           X                                                                         
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000000237   -0.000001110   -0.000001583
      2        6          -0.000000601    0.000000846    0.000000603
      3        6           0.000000384    0.000000780    0.000000155
      4        6           0.000000514    0.000000411   -0.000000458
      5        6          -0.000000527   -0.000000140   -0.000000406
      6        6           0.000000924    0.000000056    0.000001234
      7        6          -0.000000464   -0.000000285    0.000000268
      8        1          -0.000000310    0.000000080    0.000000346
      9        1          -0.000000411   -0.000000120    0.000000121
     10        1           0.000000469    0.000000127   -0.000000147
     11        1           0.000000365    0.000000087    0.000000077
     12        1          -0.000000566   -0.000000370   -0.000000960
     13        1          -0.000000263   -0.000000255   -0.000000759
     14        1          -0.000000003    0.000000106    0.000001009
     15        1           0.000000253   -0.000000212    0.000000499
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000001583 RMS     0.000000561
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.118496D+03 -0.559293D-05 -0.431079D+01
      2  -0.559293D-05  0.813948D+02 -0.173326D-04
      3  -0.431079D+01 -0.173326D-04  0.740649D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.528601D+01 -0.817478D-04  0.375805D+01
      2   0.391117D-04  0.209995D+02  0.284235D-03
      3   0.360039D+02  0.447611D-03 -0.175650D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.106068D-02 -0.807472D+02 -0.895385D-03
      2  -0.160326D-02  0.314619D+02  0.258423D-03
      3   0.542578D-03  0.492853D+02  0.636962D-03
      4  -0.113461D+03 -0.151334D-02  0.631909D+02
      5  -0.968350D-03  0.647178D+02  0.126173D-02
      6   0.433914D+02 -0.996536D-04  0.411677D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    45 ND12= 1 LenFil=    1623:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.110362D+02  0.458974D+01  0.591829D+01 -0.308658D+01 -0.153098D+01
      2   0.458974D+01 -0.246987D+01  0.314170D+00 -0.153098D+01 -0.472389D+01
      3   0.591829D+01  0.314170D+00  0.198453D+01 -0.741863D-01 -0.173428D+00
                 6             7             8             9            10 
      1  -0.741863D-01  0.346407D+01  0.298801D+01  0.237882D+01  0.651052D-03
      2  -0.173428D+00  0.298801D+01  0.186245D+01  0.487486D+00 -0.111649D+02
      3   0.220199D+01  0.237882D+01  0.487486D+00 -0.509652D+01 -0.119367D-03
                11            12            13            14            15 
      1  -0.111649D+02 -0.119367D-03 -0.813660D+01  0.169575D-03 -0.510918D+01
      2   0.449334D-04 -0.955829D+00  0.169575D-03 -0.162747D+01  0.761379D-05
      3  -0.955829D+00  0.134149D-05 -0.510918D+01  0.761379D-05 -0.117420D+01
                16            17            18            19            20 
      1  -0.148057D-03 -0.734222D+01 -0.136974D-03 -0.114947D+02  0.752723D+01
      2  -0.734222D+01 -0.557743D-05 -0.137552D+01  0.752723D+01 -0.550463D+01
      3  -0.136974D-03 -0.137552D+01 -0.103083D-03  0.304351D+01 -0.117745D+01
                21            22            23            24            25 
      1   0.304351D+01  0.143388D+02 -0.515713D+01  0.509247D+00  0.118590D+02
      2  -0.117745D+01 -0.515713D+01  0.662250D+01  0.265653D+00 -0.462670D+00
      3  -0.324202D+01  0.509247D+00  0.265653D+00  0.612132D+00 -0.116074D+01
                26            27            28            29            30 
      1  -0.462670D+00 -0.116074D+01  0.525460D+01 -0.407257D+01 -0.696213D+01
      2   0.101720D+00  0.736570D+00 -0.407257D+01  0.418954D+01  0.151917D+01
      3   0.736570D+00  0.241939D+01 -0.696213D+01  0.151917D+01  0.396934D+01
                31            32            33            34            35 
      1  -0.741263D+01  0.829265D+01 -0.162844D+01 -0.122922D+02  0.327647D-01
      2   0.829265D+01 -0.860360D+01  0.211506D+01  0.327647D-01  0.345895D+01
      3  -0.162844D+01  0.211506D+01  0.209295D+01  0.548070D+01  0.675542D+00
                36            37            38            39            40 
      1   0.548070D+01 -0.110363D+02  0.458988D+01 -0.591817D+01 -0.308655D+01
      2   0.675542D+00  0.458988D+01  0.246986D+01  0.314299D+00  0.153090D+01
      3  -0.209355D+01 -0.591817D+01  0.314299D+00 -0.198454D+01 -0.740821D-01
                41            42            43            44            45 
      1   0.153090D+01 -0.740821D-01 -0.346401D+01  0.298815D+01 -0.237880D+01
      2  -0.472397D+01  0.173352D+00  0.298815D+01 -0.186249D+01  0.487152D+00
      3   0.173352D+00  0.220176D+01 -0.237880D+01  0.487152D+00  0.509686D+01
                46            47            48            49            50 
      1   0.114937D+02  0.752714D+01 -0.304338D+01  0.143388D+02  0.515709D+01
      2   0.752714D+01  0.550465D+01 -0.117745D+01  0.515709D+01  0.662267D+01
      3  -0.304338D+01 -0.117745D+01  0.324197D+01  0.509231D+00 -0.265705D+00
                51            52            53            54            55 
      1   0.509231D+00 -0.118588D+02 -0.462674D+00  0.116083D+01 -0.525404D+01
      2  -0.265705D+00 -0.462674D+00 -0.101767D+00  0.736730D+00 -0.407253D+01
      3   0.612270D+00  0.116083D+01  0.736730D+00 -0.241955D+01  0.696205D+01
                56            57            58            59            60 
      1  -0.407253D+01  0.696205D+01 -0.741252D+01 -0.829257D+01 -0.162835D+01
      2  -0.418959D+01  0.151929D+01 -0.829257D+01 -0.860355D+01 -0.211517D+01
      3   0.151929D+01 -0.396939D+01 -0.162835D+01 -0.211517D+01  0.209279D+01
                61            62            63            64            65 
      1   0.122921D+02  0.328787D-01 -0.548083D+01 -0.976391D+00  0.170675D+01
      2   0.328787D-01 -0.345903D+01  0.675331D+00  0.170675D+01 -0.318822D+01
      3  -0.548083D+01  0.675331D+00  0.209374D+01  0.687117D-01  0.811504D+00
                66            67            68            69            70 
      1   0.687117D-01  0.382294D+01 -0.329610D+01  0.858720D+00  0.173350D+01
      2   0.811504D+00 -0.329610D+01  0.111160D+02 -0.234448D+01 -0.427530D+00
      3  -0.738466D+00  0.858720D+00 -0.234448D+01  0.174599D+01 -0.432009D+00
                71            72            73            74            75 
      1  -0.427530D+00 -0.432009D+00  0.106615D+01 -0.854697D-01 -0.457618D+00
      2   0.772980D+00  0.129116D+01 -0.854697D-01 -0.383326D+00 -0.123734D+00
      3   0.129116D+01 -0.130845D+01 -0.457618D+00 -0.123734D+00  0.110520D+01
                76            77            78            79            80 
      1  -0.624354D+00 -0.553970D+00 -0.380344D-01 -0.205219D+01 -0.294590D+00
      2  -0.553970D+00  0.750367D+00 -0.123629D+01 -0.294590D+00 -0.184489D+01
      3  -0.380344D-01 -0.123629D+01 -0.184589D+01 -0.791389D+00  0.183923D+01
                81            82            83            84            85 
      1  -0.791389D+00  0.976360D+00  0.170672D+01 -0.686838D-01  0.382297D+01
      2   0.183923D+01  0.170672D+01  0.318814D+01  0.811552D+00  0.329607D+01
      3  -0.116324D+02 -0.686838D-01  0.811552D+00  0.738494D+00  0.858778D+00
                86            87            88            89            90 
      1   0.329607D+01  0.858778D+00 -0.173340D+01 -0.427454D+00  0.432020D+00
      2   0.111159D+02  0.234466D+01 -0.427454D+00 -0.772775D+00  0.129116D+01
      3   0.234466D+01  0.174606D+01  0.432020D+00  0.129116D+01  0.130853D+01
                91            92            93            94            95 
      1  -0.106614D+01 -0.854929D-01  0.457596D+00 -0.624385D+00  0.553978D+00
      2  -0.854929D-01  0.383343D+00 -0.123688D+00  0.553978D+00  0.750225D+00
      3   0.457596D+00 -0.123688D+00 -0.110519D+01 -0.380414D-01  0.123629D+01
                96            97            98            99           100 
      1  -0.380414D-01  0.205217D+01 -0.294594D+00  0.791367D+00  0.226718D+01
      2   0.123629D+01 -0.294594D+00  0.184480D+01  0.183895D+01 -0.127082D+01
      3  -0.184616D+01  0.791367D+00  0.183895D+01  0.116323D+02 -0.321890D+00
               101           102           103           104           105 
      1  -0.127082D+01 -0.321890D+00 -0.212035D+01  0.141408D+01  0.168323D+01
      2  -0.410667D+00 -0.696956D+00  0.141408D+01 -0.397232D+01 -0.343697D+01
      3  -0.696956D+00 -0.119582D+01  0.168323D+01 -0.343697D+01 -0.372807D+01
               106           107           108           109           110 
      1  -0.986094D+00  0.160148D+01  0.117905D+01  0.141366D+02 -0.281237D+01
      2   0.160148D+01 -0.445140D+01 -0.374067D+01 -0.281237D+01  0.177653D+01
      3   0.117905D+01 -0.374067D+01 -0.478662D+01  0.153441D+01 -0.168912D+00
               111           112           113           114           115 
      1   0.153441D+01 -0.849528D+00  0.139909D+01  0.124398D+01  0.504907D+01
      2  -0.168912D+00  0.139909D+01 -0.375147D+00 -0.516950D+00  0.233550D+00
      3   0.113432D+01  0.124398D+01 -0.516950D+00 -0.491809D+00  0.160096D+01
               116           117           118           119           120 
      1   0.233550D+00  0.160096D+01 -0.141366D+02 -0.281247D+01 -0.153444D+01
      2  -0.585957D+00 -0.601268D+00 -0.281247D+01 -0.177656D+01 -0.168947D+00
      3  -0.601268D+00  0.642512D+00 -0.153444D+01 -0.168947D+00 -0.113430D+01
               121           122           123           124           125 
      1  -0.849666D+00 -0.139918D+01  0.124396D+01 -0.504910D+01  0.233498D+00
      2  -0.139918D+01 -0.375231D+00  0.516972D+00  0.233498D+00  0.585968D+00
      3   0.124396D+01  0.516972D+00 -0.491811D+00 -0.160092D+01 -0.601251D+00
               126           127           128           129           130 
      1  -0.160092D+01 -0.226713D+01 -0.127081D+01  0.321860D+00 -0.212035D+01
      2  -0.601251D+00 -0.127081D+01  0.410759D+00 -0.697026D+00 -0.141411D+01
      3  -0.642533D+00  0.321860D+00 -0.697026D+00  0.119587D+01  0.168317D+01
               131           132           133           134           135 
      1  -0.141411D+01  0.168317D+01  0.986064D+00  0.160141D+01 -0.117892D+01
      2  -0.397251D+01  0.343700D+01  0.160141D+01  0.445145D+01 -0.374060D+01
      3   0.343700D+01 -0.372800D+01 -0.117892D+01 -0.374060D+01  0.478639D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.225273D+01 -0.404599D+01 -0.403171D+01 -0.524197D+00 -0.118851D+02
      2   0.788617D+00 -0.249844D+00  0.296085D+01 -0.501970D+01  0.641756D+01
      3   0.379751D+01  0.350742D+01  0.511814D+01  0.570093D+01  0.352612D+01
                 6             7             8             9            10 
      1  -0.926331D+01 -0.226400D+01  0.867979D+01  0.133356D+02 -0.174751D-03
      2   0.512797D+01 -0.260453D+01 -0.164203D+01 -0.987736D+01  0.877418D+01
      3   0.117003D+01  0.406610D+01 -0.127396D+01 -0.734095D+00  0.527985D-03
                11            12            13            14            15 
      1   0.360952D+00  0.578359D-05 -0.121848D+02  0.212440D-04 -0.286262D+01
      2   0.000000D+00  0.999580D+01 -0.304348D-04 -0.352696D+01 -0.591865D-04
      3  -0.169893D+02 -0.289124D-04  0.215948D+02  0.791984D-04 -0.734136D+00
                16            17            18            19            20 
      1  -0.163696D-03  0.104351D+01  0.000000D+00 -0.125844D+01  0.257594D+01
      2  -0.240971D+02 -0.142251D-03  0.163300D+01 -0.125163D+00  0.144117D+01
      3   0.574400D-05 -0.401159D+01 -0.390052D-05  0.548764D+00  0.530974D+01
                21            22            23            24            25 
      1  -0.575799D+01  0.409302D+01 -0.792213D+01 -0.230233D+01 -0.104318D+02
      2  -0.421952D+01  0.158897D+01 -0.295359D+01  0.254043D+01 -0.177019D+02
      3  -0.509403D+01  0.231176D+02 -0.181638D+02  0.696486D+00  0.863606D-01
                26            27            28            29            30 
      1   0.565872D+01  0.462493D+01 -0.599998D+01 -0.264362D+01  0.529371D+01
      2   0.367910D+01  0.552988D+01 -0.160483D+02  0.655331D+01  0.101023D+02
      3   0.202937D+01  0.477285D+01  0.113912D+02 -0.124841D+02 -0.131641D+01
                31            32            33            34            35 
      1  -0.273906D+01  0.269272D+01 -0.226393D+01  0.128707D+01  0.384068D+01
      2  -0.442506D+01  0.870909D+01  0.496428D+01  0.116667D+01  0.693624D+01
      3  -0.110306D+02  0.141387D+02 -0.779879D+01  0.821925D+01 -0.961707D+01
                36            37            38            39            40 
      1   0.193344D+01 -0.225277D+01 -0.404618D+01  0.403162D+01 -0.524358D+00
      2  -0.293399D+01  0.788547D+00  0.249629D+00  0.296102D+01  0.501940D+01
      3  -0.804879D+01 -0.379753D+01  0.350770D+01 -0.511798D+01  0.570113D+01
                41            42            43            44            45 
      1   0.118851D+02 -0.926265D+01  0.226390D+01  0.868051D+01 -0.133358D+02
      2   0.641763D+01 -0.512749D+01 -0.260410D+01  0.164280D+01 -0.987785D+01
      3  -0.352606D+01  0.116987D+01 -0.406591D+01 -0.127396D+01  0.733725D+00
                46            47            48            49            50 
      1   0.125876D+01  0.257578D+01  0.575804D+01  0.409292D+01  0.792218D+01
      2  -0.124985D+00 -0.144090D+01 -0.421965D+01 -0.158860D+01 -0.295342D+01
      3  -0.549461D+00  0.530934D+01  0.509396D+01  0.231173D+02  0.181636D+02
                51            52            53            54            55 
      1  -0.230208D+01  0.104319D+02  0.565898D+01 -0.462490D+01  0.599988D+01
      2  -0.254074D+01 -0.177024D+02 -0.367953D+01  0.553020D+01 -0.160483D+02
      3   0.696776D+00 -0.864116D-01  0.202973D+01 -0.477267D+01 -0.113910D+02
                56            57            58            59            60 
      1  -0.264341D+01 -0.529384D+01 -0.273893D+01 -0.269279D+01 -0.226398D+01
      2  -0.655381D+01  0.101025D+02  0.442467D+01  0.870914D+01 -0.496394D+01
      3  -0.124843D+02  0.131670D+01 -0.110304D+02 -0.141382D+02 -0.779918D+01
                61            62            63            64            65 
      1  -0.128716D+01  0.384072D+01 -0.193329D+01 -0.202921D+01  0.388644D+01
      2   0.116741D+01 -0.693575D+01 -0.293474D+01 -0.279633D+01  0.122929D+01
      3  -0.821912D+01 -0.961752D+01  0.804852D+01  0.236075D+01 -0.320496D+01
                66            67            68            69            70 
      1  -0.516758D+00  0.263747D+01 -0.123731D+02 -0.150690D+01 -0.861151D-01
      2   0.122982D+01  0.206580D+01 -0.108966D+01 -0.156515D+01  0.166882D+00
      3   0.994419D+00  0.262494D+01  0.909468D+01 -0.224610D+01  0.120414D+01
                71            72            73            74            75 
      1  -0.230763D+01  0.328786D+00  0.186629D+01 -0.274760D+00 -0.115616D+01
      2  -0.212374D+01  0.152823D+01  0.307168D+01 -0.547358D+00 -0.636112D+00
      3   0.322256D+00  0.939098D+00 -0.118615D+01 -0.148705D+01  0.731409D-01
                76            77            78            79            80 
      1   0.149518D+00 -0.111391D+00  0.373167D+01  0.572110D+00  0.225495D+01
      2  -0.889007D+00  0.113259D+01  0.305858D+01 -0.400208D+01 -0.276890D+01
      3  -0.676033D+00  0.161331D+00 -0.172890D+01 -0.332988D+01 -0.200598D+01
                81            82            83            84            85 
      1   0.127019D+02  0.202919D+01  0.388636D+01  0.516858D+00  0.263740D+01
      2   0.138165D+02 -0.279624D+01 -0.122922D+01  0.122981D+01 -0.206580D+01
      3   0.335377D+00 -0.236076D+01 -0.320493D+01 -0.994458D+00  0.262498D+01
                86            87            88            89            90 
      1   0.123732D+02 -0.150664D+01  0.861674D-01 -0.230729D+01 -0.328874D+00
      2  -0.108950D+01  0.156515D+01  0.166866D+00  0.212363D+01  0.152830D+01
      3  -0.909456D+01 -0.224622D+01 -0.120403D+01  0.322124D+00 -0.939091D+00
                91            92            93            94            95 
      1  -0.186629D+01 -0.274813D+00  0.115614D+01  0.149497D+00  0.111204D+00
      2   0.307160D+01  0.547457D+00 -0.636043D+00  0.889119D+00  0.113258D+01
      3   0.118623D+01 -0.148702D+01 -0.732161D-01 -0.676078D+00 -0.161172D+00
                96            97            98            99           100 
      1   0.373203D+01 -0.572066D+00  0.225532D+01 -0.127017D+02  0.115468D+01
      2  -0.305892D+01 -0.400211D+01  0.276853D+01  0.138163D+02 -0.114777D+01
      3  -0.172895D+01  0.332973D+01 -0.200589D+01 -0.335082D+00  0.206211D+01
               101           102           103           104           105 
      1   0.491346D-01 -0.232613D+01  0.372669D+01 -0.139245D+01 -0.509485D+01
      2  -0.235140D+01 -0.263064D+01  0.114131D+01 -0.814579D+01 -0.915587D+01
      3   0.185370D+01  0.254546D+01 -0.126847D+01  0.956959D+01  0.873196D+01
               106           107           108           109           110 
      1  -0.113807D+01  0.153500D+01 -0.492348D+01  0.313499D+01  0.272551D+00
      2   0.199504D+01 -0.104719D+02 -0.115047D+02  0.107927D+02 -0.293572D+01
      3  -0.209863D+01  0.116127D+02  0.101624D+02 -0.515822D+01 -0.534809D+01
               111           112           113           114           115 
      1   0.118213D+01 -0.173377D+00  0.281249D+00 -0.385974D+00  0.207630D+01
      2   0.671158D+01  0.341102D+01 -0.230686D+01 -0.130666D+01  0.340632D+01
      3  -0.827329D+00  0.356336D+00 -0.667167D+00  0.465220D+00 -0.607146D+01
               116           117           118           119           120 
      1   0.163884D+00 -0.145472D-01 -0.313500D+01  0.272530D+00 -0.118216D+01
      2  -0.880015D+00  0.370246D+01  0.107926D+02  0.293583D+01  0.671153D+01
      3   0.938427D+00  0.160083D+01  0.515821D+01 -0.534809D+01  0.827298D+00
               121           122           123           124           125 
      1  -0.173322D+00 -0.281206D+00 -0.386004D+00 -0.207625D+01  0.163841D+00
      2  -0.341087D+01 -0.230689D+01  0.130673D+01  0.340611D+01  0.879946D+00
      3   0.356144D+00  0.666954D+00  0.465308D+00  0.607134D+01  0.938516D+00
               126           127           128           129           130 
      1   0.145375D-01 -0.115466D+01  0.490804D-01  0.232626D+01  0.372659D+01
      2   0.370251D+01 -0.114781D+01  0.235157D+01 -0.263075D+01 -0.114123D+01
      3  -0.160082D+01 -0.206216D+01  0.185398D+01 -0.254567D+01 -0.126845D+01
               131           132           133           134           135 
      1   0.139256D+01 -0.509493D+01  0.113814D+01  0.153492D+01  0.492338D+01
      2  -0.814593D+01  0.915570D+01  0.199479D+01  0.104718D+02 -0.115041D+02
      3  -0.957008D+01  0.873210D+01  0.209852D+01  0.116128D+02 -0.101622D+02
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.341386D+01  0.100498D+02  0.551404D+01  0.329819D+01  0.554086D+01
      2  -0.591639D+01 -0.152393D+02 -0.104141D+02 -0.620570D+01 -0.217529D+02
      3   0.933025D+01  0.518951D+01  0.490011D+01  0.290752D+01  0.162121D+02
      4   0.424236D+01 -0.689403D+01  0.203567D+01 -0.224091D+01 -0.240515D+02
      5   0.226655D+02  0.710379D+01  0.128472D+02 -0.321374D+00 -0.428565D+01
      6   0.143668D+02 -0.188773D+01  0.238061D+01 -0.395881D+01 -0.487634D+01
                 6             7             8             9            10 
      1  -0.402218D+01 -0.554970D+01  0.950336D-01  0.195285D+02  0.227333D+02
      2  -0.620116D+01 -0.197559D+01  0.512808D+01  0.128296D+02 -0.285815D+01
      3   0.102233D+02  0.752529D+01 -0.522311D+01 -0.323580D+02 -0.198751D+02
      4  -0.506801D+01  0.885323D+01  0.154795D+01  0.130037D+01 -0.561826D-03
      5   0.145365D+01  0.149568D+02  0.394881D+01 -0.427327D+01 -0.436522D+02
      6   0.351596D+01  0.711785D+01  0.611039D+01  0.680878D+00  0.577092D-03
                11            12            13            14            15 
      1  -0.124938D-03  0.157194D+01 -0.171508D-03  0.186753D+01 -0.269411D-04
      2   0.193618D-03  0.437956D+01  0.229348D-03  0.462979D+01  0.168838D-03
      3  -0.686803D-04 -0.595150D+01 -0.578400D-04 -0.649732D+01 -0.141897D-03
      4   0.170006D+02  0.173525D-03 -0.693191D+01 -0.172256D-04  0.281809D+01
      5   0.227078D-03  0.309577D+00  0.271879D-03 -0.100283D+02  0.261933D-04
      6  -0.942068D+01 -0.679817D-04 -0.112138D+02  0.294843D-03 -0.376553D+01
                16            17            18            19            20 
      1   0.124006D+02 -0.262037D-05 -0.561531D+01 -0.250408D+02  0.721015D+01
      2  -0.152839D+01  0.338541D-03 -0.162995D+00  0.903178D+01  0.574759D+01
      3  -0.108722D+02 -0.335920D-03  0.577830D+01  0.160090D+02 -0.129577D+02
      4   0.245209D-03  0.177960D+01 -0.712060D-05  0.229262D+02 -0.239640D+02
      5  -0.249227D+02 -0.100955D-03 -0.625719D+01  0.330248D+02 -0.106501D+02
      6  -0.144633D-03 -0.776326D+01 -0.245913D-03 -0.720900D+01  0.353703D+01
                21            22            23            24            25 
      1   0.108957D+02  0.201243D+02 -0.145224D+02 -0.223065D+01  0.173374D+02
      2  -0.873955D+01 -0.634435D+01  0.366703D+01  0.528059D+01 -0.729124D+01
      3  -0.215613D+01 -0.137799D+02  0.108554D+02 -0.304994D+01 -0.100462D+02
      4  -0.598615D+01 -0.208823D+02  0.315012D+02 -0.727900D+00 -0.194091D+02
      5  -0.172428D+02 -0.141979D+02  0.612465D+01  0.899291D+01 -0.529994D+01
      6   0.434503D+01  0.751067D+01 -0.344511D+01  0.542792D+01  0.720327D+01
                26            27            28            29            30 
      1  -0.182220D+01 -0.149375D+02 -0.368012D+01 -0.623328D+01 -0.262624D+02
      2  -0.350240D+01  0.315002D+01 -0.468742D+00 -0.103056D+01  0.173527D+02
      3   0.532460D+01  0.117875D+02  0.414886D+01  0.726385D+01  0.890973D+01
      4   0.169386D+01  0.267084D+01 -0.988015D+01  0.214784D+02  0.115562D+02
      5   0.207268D+01  0.920089D+01 -0.454441D+02  0.100128D+02  0.224944D+02
      6   0.689797D+01 -0.435428D+01  0.110680D+02 -0.588204D+01 -0.343724D+01
                31            32            33            34            35 
      1  -0.286192D+01  0.139045D+02  0.757635D+01 -0.464203D+02  0.153044D+02
      2  -0.159375D+02  0.136837D+02 -0.250577D+01  0.332381D+02 -0.145150D+02
      3   0.187994D+02 -0.275882D+02 -0.507058D+01  0.131822D+02 -0.789428D+00
      4   0.452864D+02 -0.415072D+02  0.538551D+01  0.654151D+01  0.115606D+02
      5  -0.460668D+01  0.621191D+01  0.874705D+01  0.357676D+02 -0.106497D+01
      6  -0.202451D+01 -0.985936D+01 -0.494314D+01 -0.703792D+01 -0.285065D+01
                36            37            38            39            40 
      1   0.227978D+02 -0.341381D+01 -0.100498D+02  0.551360D+01 -0.329795D+01
      2  -0.187818D+02 -0.591579D+01  0.152397D+02 -0.104137D+02  0.620601D+01
      3  -0.401601D+01  0.932960D+01 -0.518993D+01  0.490011D+01 -0.290806D+01
      4   0.591789D+00 -0.424266D+01 -0.689406D+01 -0.203605D+01 -0.224068D+01
      5  -0.153369D+02  0.226655D+02 -0.710426D+01  0.128470D+02  0.320910D+00
      6  -0.853890D+01 -0.143670D+02 -0.188717D+01 -0.238101D+01 -0.395838D+01
                41            42            43            44            45 
      1   0.554095D+01  0.402144D+01 -0.554998D+01 -0.958344D-01  0.195293D+02
      2  -0.217532D+02  0.620020D+01 -0.197502D+01 -0.512933D+01  0.128298D+02
      3   0.162123D+02 -0.102216D+02  0.752500D+01  0.522516D+01 -0.323591D+02
      4   0.240521D+02 -0.506766D+01 -0.885386D+01  0.154844D+01 -0.129990D+01
      5  -0.428519D+01 -0.145362D+01  0.149568D+02 -0.394839D+01 -0.427396D+01
      6   0.487535D+01  0.351630D+01 -0.711803D+01  0.611002D+01 -0.679109D+00
                46            47            48            49            50 
      1  -0.250397D+02 -0.721017D+01  0.108956D+02 -0.201244D+02 -0.145227D+02
      2   0.903102D+01 -0.574760D+01 -0.873942D+01  0.634402D+01  0.366681D+01
      3   0.160087D+02  0.129578D+02 -0.215617D+01  0.137803D+02  0.108559D+02
      4  -0.229250D+02 -0.239639D+02  0.598622D+01 -0.208828D+02 -0.315017D+02
      5   0.330241D+02  0.106502D+02 -0.172425D+02  0.141979D+02  0.612481D+01
      6   0.720825D+01  0.353669D+01 -0.434506D+01  0.751052D+01  0.344456D+01
                51            52            53            54            55 
      1   0.223130D+01  0.173370D+02  0.182276D+01 -0.149380D+02 -0.368105D+01
      2  -0.528099D+01 -0.729064D+01  0.350202D+01  0.314996D+01 -0.468171D+00
      3   0.304968D+01 -0.100464D+02 -0.532478D+01  0.117880D+02  0.414922D+01
      4  -0.727718D+00  0.194092D+02  0.169379D+01 -0.267135D+01  0.987920D+01
      5  -0.899323D+01 -0.529961D+01 -0.207308D+01  0.920118D+01 -0.454436D+02
      6   0.542784D+01 -0.720314D+01  0.689823D+01  0.435436D+01 -0.110679D+02
                56            57            58            59            60 
      1   0.623286D+01 -0.262619D+02  0.286142D+01  0.139047D+02 -0.757713D+01
      2   0.103080D+01  0.173523D+02  0.159375D+02  0.136833D+02  0.250675D+01
      3  -0.726366D+01  0.890964D+01 -0.187990D+02 -0.275880D+02  0.507038D+01
      4   0.214783D+02 -0.115567D+02  0.452857D+02  0.415070D+02  0.538578D+01
      5  -0.100133D+02  0.224945D+02  0.460612D+01  0.621222D+01 -0.874627D+01
      6  -0.588224D+01  0.343763D+01 -0.202418D+01  0.986019D+01 -0.494314D+01
                61            62            63            64            65 
      1  -0.464198D+02 -0.153053D+02  0.227980D+02  0.391726D+01  0.158152D+01
      2   0.332377D+02  0.145160D+02 -0.187822D+02  0.381645D+01 -0.899439D+01
      3   0.131821D+02  0.789299D+00 -0.401584D+01 -0.773371D+01  0.741287D+01
      4  -0.654229D+01  0.115606D+02 -0.590688D+00 -0.111898D+02  0.181869D+02
      5   0.357681D+02  0.106604D+01 -0.153379D+02  0.105268D+01 -0.484457D+01
      6   0.703854D+01 -0.285034D+01  0.853830D+01 -0.161001D+01  0.528051D+01
                66            67            68            69            70 
      1  -0.180091D+01  0.173886D+01 -0.226830D+02  0.614667D+01 -0.200265D+01
      2   0.264185D+01 -0.994316D+01  0.434489D+02 -0.596419D+01  0.377616D-01
      3  -0.840946D+00  0.820429D+01 -0.207660D+02 -0.182483D+00  0.196489D+01
      4  -0.410060D+01  0.168127D+02 -0.364555D+02  0.807098D+01  0.157785D+01
      5   0.413469D+01 -0.490750D+01  0.979476D+01 -0.541991D+01  0.819850D+00
      6  -0.236595D+01  0.746117D+01 -0.181153D+02  0.974567D+01 -0.148781D+01
                71            72            73            74            75 
      1   0.744615D+00 -0.529946D+01 -0.575497D+00  0.179268D+00  0.465249D+01
      2   0.532464D+01  0.100677D+01 -0.207400D+01 -0.699192D+00  0.963751D+00
      3  -0.606926D+01  0.429269D+01  0.264950D+01  0.519924D+00 -0.561624D+01
      4  -0.218086D+01 -0.445807D+01  0.825201D+00  0.339382D+01 -0.190390D+01
      5  -0.398657D+01  0.300694D+01 -0.208223D+00 -0.945006D+00  0.598794D+01
      6   0.570242D+01 -0.306860D+01  0.107121D+01 -0.286118D+00  0.133287D+01
                76            77            78            79            80 
      1   0.221969D+01 -0.463934D+01 -0.405802D+01  0.961312D+00  0.722802D+01
      2  -0.219159D+01  0.301709D+01 -0.677624D+01 -0.238297D+01 -0.198107D+00
      3  -0.281085D-01  0.162226D+01  0.108343D+02  0.142166D+01 -0.702991D+01
      4   0.264137D+01 -0.262709D+01  0.335091D+01  0.640279D-01  0.455592D+01
      5   0.235152D+01  0.307678D+01  0.302577D+01  0.634859D+01 -0.384694D+01
      6   0.162949D+01 -0.149167D+01  0.612636D+01 -0.920142D+00  0.799126D+01
                81            82            83            84            85 
      1  -0.337288D+02  0.391720D+01 -0.158153D+01 -0.180096D+01 -0.173883D+01
      2  -0.230302D+02  0.381635D+01  0.899404D+01  0.264196D+01  0.994272D+01
      3   0.567590D+02 -0.773356D+01 -0.741251D+01 -0.840997D+00 -0.820389D+01
      4  -0.327497D+01  0.111895D+02  0.181865D+02  0.410086D+01  0.168125D+02
      5   0.206180D+02  0.105285D+01  0.484483D+01  0.413486D+01  0.490787D+01
      6  -0.130955D+02  0.161024D+01  0.528081D+01  0.236614D+01  0.746153D+01
                86            87            88            89            90 
      1  -0.226830D+02 -0.614710D+01 -0.200273D+01 -0.745022D+00 -0.529960D+01
      2   0.434481D+02  0.596471D+01  0.379595D-01 -0.532385D+01  0.100669D+01
      3  -0.207652D+02  0.182398D+00  0.196477D+01  0.606887D+01  0.429292D+01
      4   0.364549D+02  0.807152D+01 -0.157750D+01 -0.218017D+01  0.445810D+01
      5   0.979531D+01  0.542022D+01  0.819908D+00  0.398665D+01  0.300719D+01
      6   0.181165D+02  0.974618D+01  0.148794D+01  0.570252D+01  0.306887D+01
                91            92            93            94            95 
      1  -0.575459D+00 -0.179472D+00  0.465235D+01 -0.221972D+01 -0.463920D+01
      2  -0.207392D+01  0.699183D+00  0.963831D+00  0.219156D+01  0.301680D+01
      3   0.264938D+01 -0.519712D+00 -0.561618D+01  0.281617D-01  0.162240D+01
      4  -0.825232D+00  0.339372D+01  0.190381D+01  0.264138D+01  0.262672D+01
      5  -0.208257D+00  0.944909D+00  0.598793D+01 -0.235166D+01  0.307678D+01
      6  -0.107138D+01 -0.286018D+00 -0.133269D+01  0.162955D+01  0.149124D+01
                96            97            98            99           100 
      1   0.405889D+01  0.961267D+00 -0.722712D+01 -0.337285D+02  0.910253D+01
      2   0.677660D+01 -0.238290D+01  0.198480D+00 -0.230304D+02 -0.247742D+01
      3  -0.108355D+02  0.142164D+01  0.702864D+01  0.567590D+02 -0.662511D+01
      4   0.335091D+01 -0.641572D-01  0.455576D+01  0.327452D+01 -0.740869D+01
      5  -0.302618D+01  0.634844D+01  0.384648D+01  0.206177D+02 -0.135122D+01
      6   0.612640D+01  0.920074D+00  0.799068D+01  0.130936D+02  0.176098D+01
               101           102           103           104           105 
      1  -0.863370D+01 -0.586139D+01 -0.392525D+01 -0.118398D+02 -0.949397D+01
      2   0.418530D+01  0.157280D+01  0.313629D+01  0.114806D+02  0.543624D+01
      3   0.444839D+01  0.428859D+01  0.788954D+00  0.359179D+00  0.405774D+01
      4   0.397253D+01  0.959512D+00  0.101344D+02 -0.151480D+02 -0.129905D+02
      5   0.312673D+00 -0.689224D+00  0.903512D+01 -0.137244D+02 -0.161537D+02
      6   0.282570D+01  0.322609D+01 -0.590488D+01  0.169068D+02  0.164002D+02
               106           107           108           109           110 
      1   0.214094D+01 -0.131929D+02 -0.160097D+02  0.873210D+02 -0.129455D+02
      2  -0.319256D+01  0.112190D+02  0.448929D+01 -0.399815D+02  0.362114D+01
      3   0.105163D+01  0.197388D+01  0.115204D+02 -0.473395D+02  0.932439D+01
      4   0.766397D+01 -0.168010D+02 -0.134440D+02 -0.316338D+02  0.160236D+02
      5   0.694826D+01 -0.140896D+02 -0.183293D+02  0.993112D+01 -0.171097D+01
      6  -0.623429D+01  0.177935D+02  0.191560D+02 -0.693135D+01  0.112256D+01
               111           112           113           114           115 
      1   0.920281D+01 -0.420866D+01  0.617391D+01  0.289846D+01  0.287699D+02
      2  -0.413044D+01  0.759061D+00 -0.159569D+01 -0.118303D+01 -0.162328D+02
      3  -0.507236D+01  0.344960D+01 -0.457823D+01 -0.171542D+01 -0.125371D+02
      4  -0.275382D+01  0.109623D+02 -0.310574D+01 -0.158609D+01 -0.316504D+01
      5   0.934539D+01  0.739553D+01 -0.218456D+01 -0.294859D+01  0.121681D+02
      6  -0.335938D+01 -0.126217D+01  0.181390D+01  0.264188D+01 -0.472801D+01
               116           117           118           119           120 
      1  -0.274332D+01  0.576830D+01  0.873209D+02  0.129459D+02  0.920285D+01
      2   0.163853D+01 -0.427052D+01 -0.399814D+02 -0.362125D+01 -0.413049D+01
      3   0.110480D+01 -0.149777D+01 -0.473395D+02 -0.932469D+01 -0.507236D+01
      4  -0.126682D+01 -0.484698D+01  0.316348D+02  0.160240D+02  0.275402D+01
      5  -0.325557D+01  0.608692D+01  0.993137D+01  0.171115D+01  0.934535D+01
      6   0.293435D+01 -0.731520D+00  0.693149D+01  0.112267D+01  0.335941D+01
               121           122           123           124           125 
      1   0.420922D+01  0.617411D+01 -0.289832D+01  0.287698D+02  0.274360D+01
      2  -0.759143D+00 -0.159562D+01  0.118294D+01 -0.162328D+02 -0.163870D+01
      3  -0.345007D+01 -0.457849D+01  0.171539D+01 -0.125370D+02 -0.110490D+01
      4   0.109630D+02  0.310632D+01 -0.158617D+01  0.316551D+01 -0.126680D+01
      5  -0.739540D+01 -0.218467D+01  0.294862D+01  0.121679D+02  0.325548D+01
      6  -0.126217D+01 -0.181395D+01  0.264188D+01  0.472793D+01  0.293436D+01
               126           127           128           129           130 
      1   0.576811D+01  0.910228D+01  0.863402D+01 -0.586147D+01  0.392520D+01
      2  -0.427040D+01 -0.247723D+01 -0.418563D+01  0.157291D+01 -0.313599D+01
      3  -0.149771D+01 -0.662504D+01 -0.444839D+01  0.428856D+01 -0.789212D+00
      4   0.484694D+01  0.740852D+01  0.397235D+01 -0.959267D+00  0.101345D+02
      5   0.608704D+01 -0.135096D+01 -0.312408D+00 -0.689523D+00 -0.903469D+01
      6   0.731574D+00 -0.176086D+01  0.282604D+01 -0.322638D+01 -0.590484D+01
               131           132           133           134           135 
      1  -0.118405D+02  0.949430D+01  0.214087D+01  0.131932D+02 -0.160097D+02
      2   0.114817D+02 -0.543683D+01 -0.319276D+01 -0.112197D+02  0.448989D+01
      3   0.358803D+00 -0.405748D+01  0.105189D+01 -0.197354D+01  0.115198D+02
      4   0.151484D+02 -0.129904D+02 -0.766361D+01 -0.168009D+02  0.134434D+02
      5  -0.137244D+02  0.161532D+02  0.694757D+01  0.140891D+02 -0.183281D+02
      6  -0.169072D+02  0.164001D+02  0.623388D+01  0.177933D+02 -0.191554D+02
 Leave Link  716 at Fri Jul 16 13:17:15 2021, MaxMem=  5637144576 cpu:               0.6 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.118496D+03 -0.559293D-05 -0.431079D+01
      2  -0.559293D-05  0.813948D+02 -0.173326D-04
      3  -0.431079D+01 -0.173326D-04  0.740649D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.528601D+01 -0.817478D-04  0.375805D+01
      2   0.391117D-04  0.209995D+02  0.284235D-03
      3   0.360039D+02  0.447611D-03 -0.175650D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.106068D-02 -0.807472D+02 -0.895385D-03
      2  -0.160326D-02  0.314619D+02  0.258423D-03
      3   0.542578D-03  0.492853D+02  0.636962D-03
      4  -0.113461D+03 -0.151334D-02  0.631909D+02
      5  -0.968350D-03  0.647178D+02  0.126173D-02
      6   0.433914D+02 -0.996536D-04  0.411677D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    45 ND12= 1 LenFil=    1623:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.110362D+02  0.458974D+01  0.591829D+01 -0.308658D+01 -0.153098D+01
      2   0.458974D+01 -0.246987D+01  0.314170D+00 -0.153098D+01 -0.472389D+01
      3   0.591829D+01  0.314170D+00  0.198453D+01 -0.741863D-01 -0.173428D+00
                 6             7             8             9            10 
      1  -0.741863D-01  0.346407D+01  0.298801D+01  0.237882D+01  0.651052D-03
      2  -0.173428D+00  0.298801D+01  0.186245D+01  0.487486D+00 -0.111649D+02
      3   0.220199D+01  0.237882D+01  0.487486D+00 -0.509652D+01 -0.119367D-03
                11            12            13            14            15 
      1  -0.111649D+02 -0.119367D-03 -0.813660D+01  0.169575D-03 -0.510918D+01
      2   0.449334D-04 -0.955829D+00  0.169575D-03 -0.162747D+01  0.761379D-05
      3  -0.955829D+00  0.134149D-05 -0.510918D+01  0.761379D-05 -0.117420D+01
                16            17            18            19            20 
      1  -0.148057D-03 -0.734222D+01 -0.136974D-03 -0.114947D+02  0.752723D+01
      2  -0.734222D+01 -0.557743D-05 -0.137552D+01  0.752723D+01 -0.550463D+01
      3  -0.136974D-03 -0.137552D+01 -0.103083D-03  0.304351D+01 -0.117745D+01
                21            22            23            24            25 
      1   0.304351D+01  0.143388D+02 -0.515713D+01  0.509247D+00  0.118590D+02
      2  -0.117745D+01 -0.515713D+01  0.662250D+01  0.265653D+00 -0.462670D+00
      3  -0.324202D+01  0.509247D+00  0.265653D+00  0.612132D+00 -0.116074D+01
                26            27            28            29            30 
      1  -0.462670D+00 -0.116074D+01  0.525460D+01 -0.407257D+01 -0.696213D+01
      2   0.101720D+00  0.736570D+00 -0.407257D+01  0.418954D+01  0.151917D+01
      3   0.736570D+00  0.241939D+01 -0.696213D+01  0.151917D+01  0.396934D+01
                31            32            33            34            35 
      1  -0.741263D+01  0.829265D+01 -0.162844D+01 -0.122922D+02  0.327647D-01
      2   0.829265D+01 -0.860360D+01  0.211506D+01  0.327647D-01  0.345895D+01
      3  -0.162844D+01  0.211506D+01  0.209295D+01  0.548070D+01  0.675542D+00
                36            37            38            39            40 
      1   0.548070D+01 -0.110363D+02  0.458988D+01 -0.591817D+01 -0.308655D+01
      2   0.675542D+00  0.458988D+01  0.246986D+01  0.314299D+00  0.153090D+01
      3  -0.209355D+01 -0.591817D+01  0.314299D+00 -0.198454D+01 -0.740821D-01
                41            42            43            44            45 
      1   0.153090D+01 -0.740821D-01 -0.346401D+01  0.298815D+01 -0.237880D+01
      2  -0.472397D+01  0.173352D+00  0.298815D+01 -0.186249D+01  0.487152D+00
      3   0.173352D+00  0.220176D+01 -0.237880D+01  0.487152D+00  0.509686D+01
                46            47            48            49            50 
      1   0.114937D+02  0.752714D+01 -0.304338D+01  0.143388D+02  0.515709D+01
      2   0.752714D+01  0.550465D+01 -0.117745D+01  0.515709D+01  0.662267D+01
      3  -0.304338D+01 -0.117745D+01  0.324197D+01  0.509231D+00 -0.265705D+00
                51            52            53            54            55 
      1   0.509231D+00 -0.118588D+02 -0.462674D+00  0.116083D+01 -0.525404D+01
      2  -0.265705D+00 -0.462674D+00 -0.101767D+00  0.736730D+00 -0.407253D+01
      3   0.612270D+00  0.116083D+01  0.736730D+00 -0.241955D+01  0.696205D+01
                56            57            58            59            60 
      1  -0.407253D+01  0.696205D+01 -0.741252D+01 -0.829257D+01 -0.162835D+01
      2  -0.418959D+01  0.151929D+01 -0.829257D+01 -0.860355D+01 -0.211517D+01
      3   0.151929D+01 -0.396939D+01 -0.162835D+01 -0.211517D+01  0.209279D+01
                61            62            63            64            65 
      1   0.122921D+02  0.328787D-01 -0.548083D+01 -0.976391D+00  0.170675D+01
      2   0.328787D-01 -0.345903D+01  0.675331D+00  0.170675D+01 -0.318822D+01
      3  -0.548083D+01  0.675331D+00  0.209374D+01  0.687117D-01  0.811504D+00
                66            67            68            69            70 
      1   0.687117D-01  0.382294D+01 -0.329610D+01  0.858720D+00  0.173350D+01
      2   0.811504D+00 -0.329610D+01  0.111160D+02 -0.234448D+01 -0.427530D+00
      3  -0.738466D+00  0.858720D+00 -0.234448D+01  0.174599D+01 -0.432009D+00
                71            72            73            74            75 
      1  -0.427530D+00 -0.432009D+00  0.106615D+01 -0.854697D-01 -0.457618D+00
      2   0.772980D+00  0.129116D+01 -0.854697D-01 -0.383326D+00 -0.123734D+00
      3   0.129116D+01 -0.130845D+01 -0.457618D+00 -0.123734D+00  0.110520D+01
                76            77            78            79            80 
      1  -0.624354D+00 -0.553970D+00 -0.380344D-01 -0.205219D+01 -0.294590D+00
      2  -0.553970D+00  0.750367D+00 -0.123629D+01 -0.294590D+00 -0.184489D+01
      3  -0.380344D-01 -0.123629D+01 -0.184589D+01 -0.791389D+00  0.183923D+01
                81            82            83            84            85 
      1  -0.791389D+00  0.976360D+00  0.170672D+01 -0.686838D-01  0.382297D+01
      2   0.183923D+01  0.170672D+01  0.318814D+01  0.811552D+00  0.329607D+01
      3  -0.116324D+02 -0.686838D-01  0.811552D+00  0.738494D+00  0.858778D+00
                86            87            88            89            90 
      1   0.329607D+01  0.858778D+00 -0.173340D+01 -0.427454D+00  0.432020D+00
      2   0.111159D+02  0.234466D+01 -0.427454D+00 -0.772775D+00  0.129116D+01
      3   0.234466D+01  0.174606D+01  0.432020D+00  0.129116D+01  0.130853D+01
                91            92            93            94            95 
      1  -0.106614D+01 -0.854929D-01  0.457596D+00 -0.624385D+00  0.553978D+00
      2  -0.854929D-01  0.383343D+00 -0.123688D+00  0.553978D+00  0.750225D+00
      3   0.457596D+00 -0.123688D+00 -0.110519D+01 -0.380414D-01  0.123629D+01
                96            97            98            99           100 
      1  -0.380414D-01  0.205217D+01 -0.294594D+00  0.791367D+00  0.226718D+01
      2   0.123629D+01 -0.294594D+00  0.184480D+01  0.183895D+01 -0.127082D+01
      3  -0.184616D+01  0.791367D+00  0.183895D+01  0.116323D+02 -0.321890D+00
               101           102           103           104           105 
      1  -0.127082D+01 -0.321890D+00 -0.212035D+01  0.141408D+01  0.168323D+01
      2  -0.410667D+00 -0.696956D+00  0.141408D+01 -0.397232D+01 -0.343697D+01
      3  -0.696956D+00 -0.119582D+01  0.168323D+01 -0.343697D+01 -0.372807D+01
               106           107           108           109           110 
      1  -0.986094D+00  0.160148D+01  0.117905D+01  0.141366D+02 -0.281237D+01
      2   0.160148D+01 -0.445140D+01 -0.374067D+01 -0.281237D+01  0.177653D+01
      3   0.117905D+01 -0.374067D+01 -0.478662D+01  0.153441D+01 -0.168912D+00
               111           112           113           114           115 
      1   0.153441D+01 -0.849528D+00  0.139909D+01  0.124398D+01  0.504907D+01
      2  -0.168912D+00  0.139909D+01 -0.375147D+00 -0.516950D+00  0.233550D+00
      3   0.113432D+01  0.124398D+01 -0.516950D+00 -0.491809D+00  0.160096D+01
               116           117           118           119           120 
      1   0.233550D+00  0.160096D+01 -0.141366D+02 -0.281247D+01 -0.153444D+01
      2  -0.585957D+00 -0.601268D+00 -0.281247D+01 -0.177656D+01 -0.168947D+00
      3  -0.601268D+00  0.642512D+00 -0.153444D+01 -0.168947D+00 -0.113430D+01
               121           122           123           124           125 
      1  -0.849666D+00 -0.139918D+01  0.124396D+01 -0.504910D+01  0.233498D+00
      2  -0.139918D+01 -0.375231D+00  0.516972D+00  0.233498D+00  0.585968D+00
      3   0.124396D+01  0.516972D+00 -0.491811D+00 -0.160092D+01 -0.601251D+00
               126           127           128           129           130 
      1  -0.160092D+01 -0.226713D+01 -0.127081D+01  0.321860D+00 -0.212035D+01
      2  -0.601251D+00 -0.127081D+01  0.410759D+00 -0.697026D+00 -0.141411D+01
      3  -0.642533D+00  0.321860D+00 -0.697026D+00  0.119587D+01  0.168317D+01
               131           132           133           134           135 
      1  -0.141411D+01  0.168317D+01  0.986064D+00  0.160141D+01 -0.117892D+01
      2  -0.397251D+01  0.343700D+01  0.160141D+01  0.445145D+01 -0.374060D+01
      3   0.343700D+01 -0.372800D+01 -0.117892D+01 -0.374060D+01  0.478639D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.225273D+01 -0.404599D+01 -0.403171D+01 -0.524197D+00 -0.118851D+02
      2   0.788617D+00 -0.249844D+00  0.296085D+01 -0.501970D+01  0.641756D+01
      3   0.379751D+01  0.350742D+01  0.511814D+01  0.570093D+01  0.352612D+01
                 6             7             8             9            10 
      1  -0.926331D+01 -0.226400D+01  0.867979D+01  0.133356D+02 -0.174751D-03
      2   0.512797D+01 -0.260453D+01 -0.164203D+01 -0.987736D+01  0.877418D+01
      3   0.117003D+01  0.406610D+01 -0.127396D+01 -0.734095D+00  0.527985D-03
                11            12            13            14            15 
      1   0.360952D+00  0.578359D-05 -0.121848D+02  0.212440D-04 -0.286262D+01
      2   0.000000D+00  0.999580D+01 -0.304348D-04 -0.352696D+01 -0.591865D-04
      3  -0.169893D+02 -0.289124D-04  0.215948D+02  0.791984D-04 -0.734136D+00
                16            17            18            19            20 
      1  -0.163696D-03  0.104351D+01  0.000000D+00 -0.125844D+01  0.257594D+01
      2  -0.240971D+02 -0.142251D-03  0.163300D+01 -0.125163D+00  0.144117D+01
      3   0.574400D-05 -0.401159D+01 -0.390052D-05  0.548764D+00  0.530974D+01
                21            22            23            24            25 
      1  -0.575799D+01  0.409302D+01 -0.792213D+01 -0.230233D+01 -0.104318D+02
      2  -0.421952D+01  0.158897D+01 -0.295359D+01  0.254043D+01 -0.177019D+02
      3  -0.509403D+01  0.231176D+02 -0.181638D+02  0.696486D+00  0.863606D-01
                26            27            28            29            30 
      1   0.565872D+01  0.462493D+01 -0.599998D+01 -0.264362D+01  0.529371D+01
      2   0.367910D+01  0.552988D+01 -0.160483D+02  0.655331D+01  0.101023D+02
      3   0.202937D+01  0.477285D+01  0.113912D+02 -0.124841D+02 -0.131641D+01
                31            32            33            34            35 
      1  -0.273906D+01  0.269272D+01 -0.226393D+01  0.128707D+01  0.384068D+01
      2  -0.442506D+01  0.870909D+01  0.496428D+01  0.116667D+01  0.693624D+01
      3  -0.110306D+02  0.141387D+02 -0.779879D+01  0.821925D+01 -0.961707D+01
                36            37            38            39            40 
      1   0.193344D+01 -0.225277D+01 -0.404618D+01  0.403162D+01 -0.524358D+00
      2  -0.293399D+01  0.788547D+00  0.249629D+00  0.296102D+01  0.501940D+01
      3  -0.804879D+01 -0.379753D+01  0.350770D+01 -0.511798D+01  0.570113D+01
                41            42            43            44            45 
      1   0.118851D+02 -0.926265D+01  0.226390D+01  0.868051D+01 -0.133358D+02
      2   0.641763D+01 -0.512749D+01 -0.260410D+01  0.164280D+01 -0.987785D+01
      3  -0.352606D+01  0.116987D+01 -0.406591D+01 -0.127396D+01  0.733725D+00
                46            47            48            49            50 
      1   0.125876D+01  0.257578D+01  0.575804D+01  0.409292D+01  0.792218D+01
      2  -0.124985D+00 -0.144090D+01 -0.421965D+01 -0.158860D+01 -0.295342D+01
      3  -0.549461D+00  0.530934D+01  0.509396D+01  0.231173D+02  0.181636D+02
                51            52            53            54            55 
      1  -0.230208D+01  0.104319D+02  0.565898D+01 -0.462490D+01  0.599988D+01
      2  -0.254074D+01 -0.177024D+02 -0.367953D+01  0.553020D+01 -0.160483D+02
      3   0.696776D+00 -0.864116D-01  0.202973D+01 -0.477267D+01 -0.113910D+02
                56            57            58            59            60 
      1  -0.264341D+01 -0.529384D+01 -0.273893D+01 -0.269279D+01 -0.226398D+01
      2  -0.655381D+01  0.101025D+02  0.442467D+01  0.870914D+01 -0.496394D+01
      3  -0.124843D+02  0.131670D+01 -0.110304D+02 -0.141382D+02 -0.779918D+01
                61            62            63            64            65 
      1  -0.128716D+01  0.384072D+01 -0.193329D+01 -0.202921D+01  0.388644D+01
      2   0.116741D+01 -0.693575D+01 -0.293474D+01 -0.279633D+01  0.122929D+01
      3  -0.821912D+01 -0.961752D+01  0.804852D+01  0.236075D+01 -0.320496D+01
                66            67            68            69            70 
      1  -0.516758D+00  0.263747D+01 -0.123731D+02 -0.150690D+01 -0.861151D-01
      2   0.122982D+01  0.206580D+01 -0.108966D+01 -0.156515D+01  0.166882D+00
      3   0.994419D+00  0.262494D+01  0.909468D+01 -0.224610D+01  0.120414D+01
                71            72            73            74            75 
      1  -0.230763D+01  0.328786D+00  0.186629D+01 -0.274760D+00 -0.115616D+01
      2  -0.212374D+01  0.152823D+01  0.307168D+01 -0.547358D+00 -0.636112D+00
      3   0.322256D+00  0.939098D+00 -0.118615D+01 -0.148705D+01  0.731409D-01
                76            77            78            79            80 
      1   0.149518D+00 -0.111391D+00  0.373167D+01  0.572110D+00  0.225495D+01
      2  -0.889007D+00  0.113259D+01  0.305858D+01 -0.400208D+01 -0.276890D+01
      3  -0.676033D+00  0.161331D+00 -0.172890D+01 -0.332988D+01 -0.200598D+01
                81            82            83            84            85 
      1   0.127019D+02  0.202919D+01  0.388636D+01  0.516858D+00  0.263740D+01
      2   0.138165D+02 -0.279624D+01 -0.122922D+01  0.122981D+01 -0.206580D+01
      3   0.335377D+00 -0.236076D+01 -0.320493D+01 -0.994458D+00  0.262498D+01
                86            87            88            89            90 
      1   0.123732D+02 -0.150664D+01  0.861674D-01 -0.230729D+01 -0.328874D+00
      2  -0.108950D+01  0.156515D+01  0.166866D+00  0.212363D+01  0.152830D+01
      3  -0.909456D+01 -0.224622D+01 -0.120403D+01  0.322124D+00 -0.939091D+00
                91            92            93            94            95 
      1  -0.186629D+01 -0.274813D+00  0.115614D+01  0.149497D+00  0.111204D+00
      2   0.307160D+01  0.547457D+00 -0.636043D+00  0.889119D+00  0.113258D+01
      3   0.118623D+01 -0.148702D+01 -0.732161D-01 -0.676078D+00 -0.161172D+00
                96            97            98            99           100 
      1   0.373203D+01 -0.572066D+00  0.225532D+01 -0.127017D+02  0.115468D+01
      2  -0.305892D+01 -0.400211D+01  0.276853D+01  0.138163D+02 -0.114777D+01
      3  -0.172895D+01  0.332973D+01 -0.200589D+01 -0.335082D+00  0.206211D+01
               101           102           103           104           105 
      1   0.491346D-01 -0.232613D+01  0.372669D+01 -0.139245D+01 -0.509485D+01
      2  -0.235140D+01 -0.263064D+01  0.114131D+01 -0.814579D+01 -0.915587D+01
      3   0.185370D+01  0.254546D+01 -0.126847D+01  0.956959D+01  0.873196D+01
               106           107           108           109           110 
      1  -0.113807D+01  0.153500D+01 -0.492348D+01  0.313499D+01  0.272551D+00
      2   0.199504D+01 -0.104719D+02 -0.115047D+02  0.107927D+02 -0.293572D+01
      3  -0.209863D+01  0.116127D+02  0.101624D+02 -0.515822D+01 -0.534809D+01
               111           112           113           114           115 
      1   0.118213D+01 -0.173377D+00  0.281249D+00 -0.385974D+00  0.207630D+01
      2   0.671158D+01  0.341102D+01 -0.230686D+01 -0.130666D+01  0.340632D+01
      3  -0.827329D+00  0.356336D+00 -0.667167D+00  0.465220D+00 -0.607146D+01
               116           117           118           119           120 
      1   0.163884D+00 -0.145472D-01 -0.313500D+01  0.272530D+00 -0.118216D+01
      2  -0.880015D+00  0.370246D+01  0.107926D+02  0.293583D+01  0.671153D+01
      3   0.938427D+00  0.160083D+01  0.515821D+01 -0.534809D+01  0.827298D+00
               121           122           123           124           125 
      1  -0.173322D+00 -0.281206D+00 -0.386004D+00 -0.207625D+01  0.163841D+00
      2  -0.341087D+01 -0.230689D+01  0.130673D+01  0.340611D+01  0.879946D+00
      3   0.356144D+00  0.666954D+00  0.465308D+00  0.607134D+01  0.938516D+00
               126           127           128           129           130 
      1   0.145375D-01 -0.115466D+01  0.490804D-01  0.232626D+01  0.372659D+01
      2   0.370251D+01 -0.114781D+01  0.235157D+01 -0.263075D+01 -0.114123D+01
      3  -0.160082D+01 -0.206216D+01  0.185398D+01 -0.254567D+01 -0.126845D+01
               131           132           133           134           135 
      1   0.139256D+01 -0.509493D+01  0.113814D+01  0.153492D+01  0.492338D+01
      2  -0.814593D+01  0.915570D+01  0.199479D+01  0.104718D+02 -0.115041D+02
      3  -0.957008D+01  0.873210D+01  0.209852D+01  0.116128D+02 -0.101622D+02
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.341386D+01  0.100498D+02  0.551404D+01  0.329819D+01  0.554086D+01
      2  -0.591639D+01 -0.152393D+02 -0.104141D+02 -0.620570D+01 -0.217529D+02
      3   0.933025D+01  0.518951D+01  0.490011D+01  0.290752D+01  0.162121D+02
      4   0.424236D+01 -0.689403D+01  0.203567D+01 -0.224091D+01 -0.240515D+02
      5   0.226655D+02  0.710379D+01  0.128472D+02 -0.321374D+00 -0.428565D+01
      6   0.143668D+02 -0.188773D+01  0.238061D+01 -0.395881D+01 -0.487634D+01
                 6             7             8             9            10 
      1  -0.402218D+01 -0.554970D+01  0.950336D-01  0.195285D+02  0.227333D+02
      2  -0.620116D+01 -0.197559D+01  0.512808D+01  0.128296D+02 -0.285815D+01
      3   0.102233D+02  0.752529D+01 -0.522311D+01 -0.323580D+02 -0.198751D+02
      4  -0.506801D+01  0.885323D+01  0.154795D+01  0.130037D+01 -0.561826D-03
      5   0.145365D+01  0.149568D+02  0.394881D+01 -0.427327D+01 -0.436522D+02
      6   0.351596D+01  0.711785D+01  0.611039D+01  0.680878D+00  0.577092D-03
                11            12            13            14            15 
      1  -0.124938D-03  0.157194D+01 -0.171508D-03  0.186753D+01 -0.269411D-04
      2   0.193618D-03  0.437956D+01  0.229348D-03  0.462979D+01  0.168838D-03
      3  -0.686803D-04 -0.595150D+01 -0.578400D-04 -0.649732D+01 -0.141897D-03
      4   0.170006D+02  0.173525D-03 -0.693191D+01 -0.172256D-04  0.281809D+01
      5   0.227078D-03  0.309577D+00  0.271879D-03 -0.100283D+02  0.261933D-04
      6  -0.942068D+01 -0.679817D-04 -0.112138D+02  0.294843D-03 -0.376553D+01
                16            17            18            19            20 
      1   0.124006D+02 -0.262037D-05 -0.561531D+01 -0.250408D+02  0.721015D+01
      2  -0.152839D+01  0.338541D-03 -0.162995D+00  0.903178D+01  0.574759D+01
      3  -0.108722D+02 -0.335920D-03  0.577830D+01  0.160090D+02 -0.129577D+02
      4   0.245209D-03  0.177960D+01 -0.712060D-05  0.229262D+02 -0.239640D+02
      5  -0.249227D+02 -0.100955D-03 -0.625719D+01  0.330248D+02 -0.106501D+02
      6  -0.144633D-03 -0.776326D+01 -0.245913D-03 -0.720900D+01  0.353703D+01
                21            22            23            24            25 
      1   0.108957D+02  0.201243D+02 -0.145224D+02 -0.223065D+01  0.173374D+02
      2  -0.873955D+01 -0.634435D+01  0.366703D+01  0.528059D+01 -0.729124D+01
      3  -0.215613D+01 -0.137799D+02  0.108554D+02 -0.304994D+01 -0.100462D+02
      4  -0.598615D+01 -0.208823D+02  0.315012D+02 -0.727900D+00 -0.194091D+02
      5  -0.172428D+02 -0.141979D+02  0.612465D+01  0.899291D+01 -0.529994D+01
      6   0.434503D+01  0.751067D+01 -0.344511D+01  0.542792D+01  0.720327D+01
                26            27            28            29            30 
      1  -0.182220D+01 -0.149375D+02 -0.368012D+01 -0.623328D+01 -0.262624D+02
      2  -0.350240D+01  0.315002D+01 -0.468742D+00 -0.103056D+01  0.173527D+02
      3   0.532460D+01  0.117875D+02  0.414886D+01  0.726385D+01  0.890973D+01
      4   0.169386D+01  0.267084D+01 -0.988015D+01  0.214784D+02  0.115562D+02
      5   0.207268D+01  0.920089D+01 -0.454441D+02  0.100128D+02  0.224944D+02
      6   0.689797D+01 -0.435428D+01  0.110680D+02 -0.588204D+01 -0.343724D+01
                31            32            33            34            35 
      1  -0.286192D+01  0.139045D+02  0.757635D+01 -0.464203D+02  0.153044D+02
      2  -0.159375D+02  0.136837D+02 -0.250577D+01  0.332381D+02 -0.145150D+02
      3   0.187994D+02 -0.275882D+02 -0.507058D+01  0.131822D+02 -0.789428D+00
      4   0.452864D+02 -0.415072D+02  0.538551D+01  0.654151D+01  0.115606D+02
      5  -0.460668D+01  0.621191D+01  0.874705D+01  0.357676D+02 -0.106497D+01
      6  -0.202451D+01 -0.985936D+01 -0.494314D+01 -0.703792D+01 -0.285065D+01
                36            37            38            39            40 
      1   0.227978D+02 -0.341381D+01 -0.100498D+02  0.551360D+01 -0.329795D+01
      2  -0.187818D+02 -0.591579D+01  0.152397D+02 -0.104137D+02  0.620601D+01
      3  -0.401601D+01  0.932960D+01 -0.518993D+01  0.490011D+01 -0.290806D+01
      4   0.591789D+00 -0.424266D+01 -0.689406D+01 -0.203605D+01 -0.224068D+01
      5  -0.153369D+02  0.226655D+02 -0.710426D+01  0.128470D+02  0.320910D+00
      6  -0.853890D+01 -0.143670D+02 -0.188717D+01 -0.238101D+01 -0.395838D+01
                41            42            43            44            45 
      1   0.554095D+01  0.402144D+01 -0.554998D+01 -0.958344D-01  0.195293D+02
      2  -0.217532D+02  0.620020D+01 -0.197502D+01 -0.512933D+01  0.128298D+02
      3   0.162123D+02 -0.102216D+02  0.752500D+01  0.522516D+01 -0.323591D+02
      4   0.240521D+02 -0.506766D+01 -0.885386D+01  0.154844D+01 -0.129990D+01
      5  -0.428519D+01 -0.145362D+01  0.149568D+02 -0.394839D+01 -0.427396D+01
      6   0.487535D+01  0.351630D+01 -0.711803D+01  0.611002D+01 -0.679109D+00
                46            47            48            49            50 
      1  -0.250397D+02 -0.721017D+01  0.108956D+02 -0.201244D+02 -0.145227D+02
      2   0.903102D+01 -0.574760D+01 -0.873942D+01  0.634402D+01  0.366681D+01
      3   0.160087D+02  0.129578D+02 -0.215617D+01  0.137803D+02  0.108559D+02
      4  -0.229250D+02 -0.239639D+02  0.598622D+01 -0.208828D+02 -0.315017D+02
      5   0.330241D+02  0.106502D+02 -0.172425D+02  0.141979D+02  0.612481D+01
      6   0.720825D+01  0.353669D+01 -0.434506D+01  0.751052D+01  0.344456D+01
                51            52            53            54            55 
      1   0.223130D+01  0.173370D+02  0.182276D+01 -0.149380D+02 -0.368105D+01
      2  -0.528099D+01 -0.729064D+01  0.350202D+01  0.314996D+01 -0.468171D+00
      3   0.304968D+01 -0.100464D+02 -0.532478D+01  0.117880D+02  0.414922D+01
      4  -0.727718D+00  0.194092D+02  0.169379D+01 -0.267135D+01  0.987920D+01
      5  -0.899323D+01 -0.529961D+01 -0.207308D+01  0.920118D+01 -0.454436D+02
      6   0.542784D+01 -0.720314D+01  0.689823D+01  0.435436D+01 -0.110679D+02
                56            57            58            59            60 
      1   0.623286D+01 -0.262619D+02  0.286142D+01  0.139047D+02 -0.757713D+01
      2   0.103080D+01  0.173523D+02  0.159375D+02  0.136833D+02  0.250675D+01
      3  -0.726366D+01  0.890964D+01 -0.187990D+02 -0.275880D+02  0.507038D+01
      4   0.214783D+02 -0.115567D+02  0.452857D+02  0.415070D+02  0.538578D+01
      5  -0.100133D+02  0.224945D+02  0.460612D+01  0.621222D+01 -0.874627D+01
      6  -0.588224D+01  0.343763D+01 -0.202418D+01  0.986019D+01 -0.494314D+01
                61            62            63            64            65 
      1  -0.464198D+02 -0.153053D+02  0.227980D+02  0.391726D+01  0.158152D+01
      2   0.332377D+02  0.145160D+02 -0.187822D+02  0.381645D+01 -0.899439D+01
      3   0.131821D+02  0.789299D+00 -0.401584D+01 -0.773371D+01  0.741287D+01
      4  -0.654229D+01  0.115606D+02 -0.590688D+00 -0.111898D+02  0.181869D+02
      5   0.357681D+02  0.106604D+01 -0.153379D+02  0.105268D+01 -0.484457D+01
      6   0.703854D+01 -0.285034D+01  0.853830D+01 -0.161001D+01  0.528051D+01
                66            67            68            69            70 
      1  -0.180091D+01  0.173886D+01 -0.226830D+02  0.614667D+01 -0.200265D+01
      2   0.264185D+01 -0.994316D+01  0.434489D+02 -0.596419D+01  0.377616D-01
      3  -0.840946D+00  0.820429D+01 -0.207660D+02 -0.182483D+00  0.196489D+01
      4  -0.410060D+01  0.168127D+02 -0.364555D+02  0.807098D+01  0.157785D+01
      5   0.413469D+01 -0.490750D+01  0.979476D+01 -0.541991D+01  0.819850D+00
      6  -0.236595D+01  0.746117D+01 -0.181153D+02  0.974567D+01 -0.148781D+01
                71            72            73            74            75 
      1   0.744615D+00 -0.529946D+01 -0.575497D+00  0.179268D+00  0.465249D+01
      2   0.532464D+01  0.100677D+01 -0.207400D+01 -0.699192D+00  0.963751D+00
      3  -0.606926D+01  0.429269D+01  0.264950D+01  0.519924D+00 -0.561624D+01
      4  -0.218086D+01 -0.445807D+01  0.825201D+00  0.339382D+01 -0.190390D+01
      5  -0.398657D+01  0.300694D+01 -0.208223D+00 -0.945006D+00  0.598794D+01
      6   0.570242D+01 -0.306860D+01  0.107121D+01 -0.286118D+00  0.133287D+01
                76            77            78            79            80 
      1   0.221969D+01 -0.463934D+01 -0.405802D+01  0.961312D+00  0.722802D+01
      2  -0.219159D+01  0.301709D+01 -0.677624D+01 -0.238297D+01 -0.198107D+00
      3  -0.281085D-01  0.162226D+01  0.108343D+02  0.142166D+01 -0.702991D+01
      4   0.264137D+01 -0.262709D+01  0.335091D+01  0.640279D-01  0.455592D+01
      5   0.235152D+01  0.307678D+01  0.302577D+01  0.634859D+01 -0.384694D+01
      6   0.162949D+01 -0.149167D+01  0.612636D+01 -0.920142D+00  0.799126D+01
                81            82            83            84            85 
      1  -0.337288D+02  0.391720D+01 -0.158153D+01 -0.180096D+01 -0.173883D+01
      2  -0.230302D+02  0.381635D+01  0.899404D+01  0.264196D+01  0.994272D+01
      3   0.567590D+02 -0.773356D+01 -0.741251D+01 -0.840997D+00 -0.820389D+01
      4  -0.327497D+01  0.111895D+02  0.181865D+02  0.410086D+01  0.168125D+02
      5   0.206180D+02  0.105285D+01  0.484483D+01  0.413486D+01  0.490787D+01
      6  -0.130955D+02  0.161024D+01  0.528081D+01  0.236614D+01  0.746153D+01
                86            87            88            89            90 
      1  -0.226830D+02 -0.614710D+01 -0.200273D+01 -0.745022D+00 -0.529960D+01
      2   0.434481D+02  0.596471D+01  0.379595D-01 -0.532385D+01  0.100669D+01
      3  -0.207652D+02  0.182398D+00  0.196477D+01  0.606887D+01  0.429292D+01
      4   0.364549D+02  0.807152D+01 -0.157750D+01 -0.218017D+01  0.445810D+01
      5   0.979531D+01  0.542022D+01  0.819908D+00  0.398665D+01  0.300719D+01
      6   0.181165D+02  0.974618D+01  0.148794D+01  0.570252D+01  0.306887D+01
                91            92            93            94            95 
      1  -0.575459D+00 -0.179472D+00  0.465235D+01 -0.221972D+01 -0.463920D+01
      2  -0.207392D+01  0.699183D+00  0.963831D+00  0.219156D+01  0.301680D+01
      3   0.264938D+01 -0.519712D+00 -0.561618D+01  0.281617D-01  0.162240D+01
      4  -0.825232D+00  0.339372D+01  0.190381D+01  0.264138D+01  0.262672D+01
      5  -0.208257D+00  0.944909D+00  0.598793D+01 -0.235166D+01  0.307678D+01
      6  -0.107138D+01 -0.286018D+00 -0.133269D+01  0.162955D+01  0.149124D+01
                96            97            98            99           100 
      1   0.405889D+01  0.961267D+00 -0.722712D+01 -0.337285D+02  0.910253D+01
      2   0.677660D+01 -0.238290D+01  0.198480D+00 -0.230304D+02 -0.247742D+01
      3  -0.108355D+02  0.142164D+01  0.702864D+01  0.567590D+02 -0.662511D+01
      4   0.335091D+01 -0.641572D-01  0.455576D+01  0.327452D+01 -0.740869D+01
      5  -0.302618D+01  0.634844D+01  0.384648D+01  0.206177D+02 -0.135122D+01
      6   0.612640D+01  0.920074D+00  0.799068D+01  0.130936D+02  0.176098D+01
               101           102           103           104           105 
      1  -0.863370D+01 -0.586139D+01 -0.392525D+01 -0.118398D+02 -0.949397D+01
      2   0.418530D+01  0.157280D+01  0.313629D+01  0.114806D+02  0.543624D+01
      3   0.444839D+01  0.428859D+01  0.788954D+00  0.359179D+00  0.405774D+01
      4   0.397253D+01  0.959512D+00  0.101344D+02 -0.151480D+02 -0.129905D+02
      5   0.312673D+00 -0.689224D+00  0.903512D+01 -0.137244D+02 -0.161537D+02
      6   0.282570D+01  0.322609D+01 -0.590488D+01  0.169068D+02  0.164002D+02
               106           107           108           109           110 
      1   0.214094D+01 -0.131929D+02 -0.160097D+02  0.873210D+02 -0.129455D+02
      2  -0.319256D+01  0.112190D+02  0.448929D+01 -0.399815D+02  0.362114D+01
      3   0.105163D+01  0.197388D+01  0.115204D+02 -0.473395D+02  0.932439D+01
      4   0.766397D+01 -0.168010D+02 -0.134440D+02 -0.316338D+02  0.160236D+02
      5   0.694826D+01 -0.140896D+02 -0.183293D+02  0.993112D+01 -0.171097D+01
      6  -0.623429D+01  0.177935D+02  0.191560D+02 -0.693135D+01  0.112256D+01
               111           112           113           114           115 
      1   0.920281D+01 -0.420866D+01  0.617391D+01  0.289846D+01  0.287699D+02
      2  -0.413044D+01  0.759061D+00 -0.159569D+01 -0.118303D+01 -0.162328D+02
      3  -0.507236D+01  0.344960D+01 -0.457823D+01 -0.171542D+01 -0.125371D+02
      4  -0.275382D+01  0.109623D+02 -0.310574D+01 -0.158609D+01 -0.316504D+01
      5   0.934539D+01  0.739553D+01 -0.218456D+01 -0.294859D+01  0.121681D+02
      6  -0.335938D+01 -0.126217D+01  0.181390D+01  0.264188D+01 -0.472801D+01
               116           117           118           119           120 
      1  -0.274332D+01  0.576830D+01  0.873209D+02  0.129459D+02  0.920285D+01
      2   0.163853D+01 -0.427052D+01 -0.399814D+02 -0.362125D+01 -0.413049D+01
      3   0.110480D+01 -0.149777D+01 -0.473395D+02 -0.932469D+01 -0.507236D+01
      4  -0.126682D+01 -0.484698D+01  0.316348D+02  0.160240D+02  0.275402D+01
      5  -0.325557D+01  0.608692D+01  0.993137D+01  0.171115D+01  0.934535D+01
      6   0.293435D+01 -0.731520D+00  0.693149D+01  0.112267D+01  0.335941D+01
               121           122           123           124           125 
      1   0.420922D+01  0.617411D+01 -0.289832D+01  0.287698D+02  0.274360D+01
      2  -0.759143D+00 -0.159562D+01  0.118294D+01 -0.162328D+02 -0.163870D+01
      3  -0.345007D+01 -0.457849D+01  0.171539D+01 -0.125370D+02 -0.110490D+01
      4   0.109630D+02  0.310632D+01 -0.158617D+01  0.316551D+01 -0.126680D+01
      5  -0.739540D+01 -0.218467D+01  0.294862D+01  0.121679D+02  0.325548D+01
      6  -0.126217D+01 -0.181395D+01  0.264188D+01  0.472793D+01  0.293436D+01
               126           127           128           129           130 
      1   0.576811D+01  0.910228D+01  0.863402D+01 -0.586147D+01  0.392520D+01
      2  -0.427040D+01 -0.247723D+01 -0.418563D+01  0.157291D+01 -0.313599D+01
      3  -0.149771D+01 -0.662504D+01 -0.444839D+01  0.428856D+01 -0.789212D+00
      4   0.484694D+01  0.740852D+01  0.397235D+01 -0.959267D+00  0.101345D+02
      5   0.608704D+01 -0.135096D+01 -0.312408D+00 -0.689523D+00 -0.903469D+01
      6   0.731574D+00 -0.176086D+01  0.282604D+01 -0.322638D+01 -0.590484D+01
               131           132           133           134           135 
      1  -0.118405D+02  0.949430D+01  0.214087D+01  0.131932D+02 -0.160097D+02
      2   0.114817D+02 -0.543683D+01 -0.319276D+01 -0.112197D+02  0.448989D+01
      3   0.358803D+00 -0.405748D+01  0.105189D+01 -0.197354D+01  0.115198D+02
      4   0.151484D+02 -0.129904D+02 -0.766361D+01 -0.168009D+02  0.134434D+02
      5  -0.137244D+02  0.161532D+02  0.694757D+01  0.140891D+02 -0.183281D+02
      6  -0.169072D+02  0.164001D+02  0.623388D+01  0.177933D+02 -0.191554D+02

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.191962D+00      0.487918D+00      0.162752D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.191962D+00      0.487918D+00      0.162752D+01
   z          0.000000D+00      0.000000D+00      0.000000D+00

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.852990D+02      0.126400D+02      0.140639D+02
   aniso      0.373661D+02      0.553708D+01      0.616084D+01
   xx         0.109553D+03      0.162341D+02      0.180628D+02
   yx         0.000000D+00      0.000000D+00      0.000000D+00
   yy         0.764922D+02      0.113350D+02      0.126119D+02
   zx        -0.363271D+01     -0.538312D+00     -0.598953D+00
   zy        -0.172710D-04     -0.255930D-05     -0.284760D-05
   zz         0.698520D+02      0.103510D+02      0.115170D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.913185D+02      0.135320D+02      0.150564D+02
   aniso      0.419273D+02      0.621298D+01      0.691287D+01
   xx         0.118496D+03      0.175592D+02      0.195373D+02
   yx         0.000000D+00      0.000000D+00      0.000000D+00
   yy         0.813948D+02      0.120615D+02      0.134202D+02
   zx        -0.431079D+01     -0.638793D+00     -0.710753D+00
   zy        -0.173326D-04     -0.256843D-05     -0.285776D-05
   zz         0.740649D+02      0.109753D+02      0.122116D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          1.87101396         -1.89800546          1.71687623
     6          0.00001414         -0.00000484          0.66730765
     6          2.55746347         -0.05110177         -0.25689623
     6          4.29158929          0.87118401         -1.78401959
     6         -1.87094092          1.89795248          1.71702826
     6         -2.55748337          0.05112294         -0.25677291
     6         -4.29166176         -0.87113989         -1.78384947
     1         -2.56419996          1.59212247          3.62305156
     1         -1.63317316          3.86513141          1.18917404
     1          2.56435890         -1.59224144          3.62287838
     1          1.63322083         -3.86516271          1.18895558
     1          3.86949091          2.41531064         -3.05971705
     1          6.19333457          0.11503323         -1.81151500
     1         -6.19341214         -0.11500020         -1.81126572
     1         -3.86959066         -2.41523067         -3.05960164

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.191962D+00      0.487918D+00      0.162752D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.191962D+00      0.487918D+00      0.162752D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.852990D+02      0.126400D+02      0.140639D+02
   aniso      0.373661D+02      0.553708D+01      0.616084D+01
   xx         0.109553D+03      0.162340D+02      0.180628D+02
   yx         0.363367D+01      0.538454D+00      0.599111D+00
   yy         0.698521D+02      0.103510D+02      0.115171D+02
   zx        -0.787298D-03     -0.116666D-03     -0.129808D-03
   zy        -0.993721D-04     -0.147254D-04     -0.163843D-04
   zz         0.764922D+02      0.113350D+02      0.126119D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.913185D+02      0.135320D+02      0.150564D+02
   aniso      0.419273D+02      0.621298D+01      0.691287D+01
   xx         0.118495D+03      0.175592D+02      0.195373D+02
   yx         0.431185D+01      0.638951D+00      0.710929D+00
   yy         0.740651D+02      0.109753D+02      0.122117D+02
   zx        -0.877711D-03     -0.130063D-03     -0.144715D-03
   zy        -0.118651D-03     -0.175822D-04     -0.195629D-04
   zz         0.813948D+02      0.120615D+02      0.134202D+02

 ----------------------------------------------------------------------
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 ABSOLUTISM, OBSOLETISM -- IF IT WORKS, IT'S OUT OF DATE

                          -- STAFFORD BEER
 Job cpu time:       0 days  0 hours 57 minutes  1.9 seconds.
 Elapsed time:       0 days  0 hours  7 minutes 10.0 seconds.
 File lengths (MBytes):  RWF=    128 Int=      0 D2E=      0 Chk=      7 Scr=      2
 Normal termination of Gaussian 16 at Fri Jul 16 13:17:15 2021.
